Geometry & MOs

Info

ID:	65788
PubChem CID:	46386872
Reduced:	F3N3O3H20C22 (1)
Stoich.:	A3B3C3D20E22 (1)
Weight, g/mol:	415.109897
ΔH_f, kcal/mol:	-239.7
Dipole, Da:	5.1
IP(EA), eV:	-9.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C3=CC=CC=C3C2=O)CC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations