Geometry & MOs

Info

ID:	52784
PubChem CID:	12015955
Reduced:	SiN2O2C28H42 (1)
Stoich.:	AB2C2D28E42 (1)
Weight, g/mol:	340.182064
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	2.41
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]hept-6-en-1-one

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(C)[Si](C(C)C)(C(C)C)OC[C@H]1[C@@H]2C[C@@H]3C4=C(C[C@H]1N3C[C@@H]2C(=O)C)C5=CC=CC=C5N4

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(C)[Si](C(C)C)(C(C)C)OC[C@H]1[C@@H]2C[C@@H]3C4=C(C[C@H]1N3C[C@@H]2C(=O)C)C5=CC=CC=C5N4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):