Geometry & MOs

Info

ID:	233353
PubChem CID:	89851490
Reduced:	ClNO3C11H14 (2)
Stoich.:	ABC3D11E14 (2)
Weight, g/mol:	542.338728
ΔH_f, kcal/mol:	-268.8
Dipole, Da:	5.77
IP(EA), eV:	-9.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enoxyamino]-3,6-dihydro-2H-pyridine-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(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@H]1C[C@@H]1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O

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)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@H]1C[C@@H]1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):