Geometry & MOs

Info

ID:	31211
PubChem CID:	855213
Reduced:	OSN4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	7.19
IP(EA), eV:	-8.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)C)C(C)C

DOS

IR

Vibrations