Geometry & MOs

Info

ID:	238209
PubChem CID:	92729794
Reduced:	FN3O4H24C27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	457.18017
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	6.55
IP(EA), eV:	-8.4(-0.69)
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-fluoro-4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=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