Geometry & MOs

Info

ID:	136977
PubChem CID:	52133595
Reduced:	OSN6C15H22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	242.120132
ΔH_f, kcal/mol:	40.65
Dipole, Da:	3.39
IP(EA), eV:	-8.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N,N-dimethyl-2-[(4-propyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NN=C(N1CC=C)C2=CC(=NN2C)C

DOS

IR

Vibrations