Geometry & MOs

Info

ID:	37687
PubChem CID:	8023216
Reduced:	ClNOC10H12 (2)
Stoich.:	ABCD10E12 (2)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	4.15
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-ylsulfonyl)phenyl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C[C@@H](COC3=C(C=CC=C3Cl)Cl)O

DOS

IR

Vibrations