Geometry & MOs

Info

ID:	44645
PubChem CID:	10504694
Reduced:	N4O7C23H30 (1)
Stoich.:	A4B7C23D30 (1)
Weight, g/mol:	478.215095
ΔH_f, kcal/mol:	-270.61
Dipole, Da:	6.69
IP(EA), eV:	-9.45(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-benzyl-4-[2-(dimethylamino)ethylsulfonyl]-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

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

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](N(O2)CC3=CC=CC=C3)[C@H](C(=O)OC)NC(=O)OC(C)(C)C

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

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](N(O2)CC3=CC=CC=C3)[C@H](C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):