Geometry & MOs

Info

ID:	37220
PubChem CID:	8018406
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	382.180053
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	4.16
IP(EA), eV:	-8.68(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-ium-4-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)OC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations