Geometry & MOs

Info

ID:	31445
PubChem CID:	855729
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	27.33
Dipole, Da:	6.4
IP(EA), eV:	-8.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations