Geometry & MOs

Info

ID:	38514
PubChem CID:	8136955
Reduced:	ClSN3O4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-28.39
Dipole, Da:	4.67
IP(EA), eV:	-9.34(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations