Geometry & MOs

Info

ID:	155352
PubChem CID:	56352943
Reduced:	Cl2O2N5H21C22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	468.103432
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	6.12
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[2-fluoro-5-(methylsulfamoyl)benzoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations