Geometry & MOs

Info

ID:	393216
PubChem CID:	135019758
Reduced:	NSi3O6C43H75 (1)
Stoich.:	AB3C6D43E75 (1)
Weight, g/mol:	403.217885
ΔH_f, kcal/mol:	-406.87
Dipole, Da:	3.11
IP(EA), eV:	-8.2(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenyl-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[Si](CC)(CC)O[C@H]1CC(=O)[C@@H](/C=C/C=C(/CC2=CC(=CC(=C2)O[Si](CC)(CC)CC)NC(=O)C[C@@H](/C(=C/[C@@H]1C)/C)O[Si](CC)(CC)CC)\C)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[Si](CC)(CC)O[C@H]1CC(=O)[C@@H](/C=C/C=C(/CC2=CC(=CC(=C2)O[Si](CC)(CC)CC)NC(=O)C[C@@H](/C(=C/[C@@H]1C)/C)O[Si](CC)(CC)CC)\C)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):