Geometry & MOs

Info

ID:	31210
PubChem CID:	855193
Reduced:	ClOSN4C15H19 (1)
Stoich.:	ABCD4E15F19 (1)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	6.25
IP(EA), eV:	-9.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C)C(C)C

DOS

IR

Vibrations