Geometry & MOs

Info

ID:	208895
PubChem CID:	80601102
Reduced:	BrSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	3.02
Dipole, Da:	8.0
IP(EA), eV:	-8.8(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-(thian-2-ylmethylamino)acetamide

Drug info:

PubChemData

Smile

C1CCSC(C1)CNCC2=C(C=C(C=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations