Geometry & MOs

Info

ID:	139098
PubChem CID:	52471734
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	373.091869
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	4.04
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C)NC(=O)[C@@H](C)CC2=CC=CS2

DOS

IR

Vibrations