Geometry & MOs

Info

ID:	238202
PubChem CID:	92729787
Reduced:	FN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	-96.0
Dipole, Da:	5.94
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-(3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

C1C[C@@H]2C(=O)N(C3=CC=CC=C3C(=O)N2C1)CC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations