Geometry & MOs

Info

ID:	31443
PubChem CID:	855727
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	29.6
Dipole, Da:	1.61
IP(EA), eV:	-8.58(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CC3)C

DOS

IR

Vibrations