Geometry & MOs

Info

ID:	155337
PubChem CID:	56352926
Reduced:	OS3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	54.58
Dipole, Da:	5.17
IP(EA), eV:	-8.79(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[3-(3-fluorophenyl)-2-methylpropanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCCN(C1)CC2=CC=CS2)N3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations