Geometry & MOs

Info

ID:	143851
PubChem CID:	53269532
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	335.01497
ΔH_f, kcal/mol:	15.72
Dipole, Da:	5.53
IP(EA), eV:	-9.07(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl chloride

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations