Geometry & MOs

Info

ID:	122019
PubChem CID:	50789910
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	407.199762
ΔH_f, kcal/mol:	-152.23
Dipole, Da:	7.54
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-(4-methylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

DOS

IR

Vibrations