Geometry & MOs

Info

ID:	238210
PubChem CID:	92729796
Reduced:	FN3O3H24C27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	457.18017
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	5.77
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)N5CCC[C@H]5C3=O)F

DOS

IR

Vibrations