Geometry & MOs

Info

ID:	31209
PubChem CID:	855191
Reduced:	OS2N5C15H19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	338.09681
ΔH_f, kcal/mol:	28.33
Dipole, Da:	7.1
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C#N)NC(=O)CSC2=NN=C(N2C)C(C)C)C

DOS

IR

Vibrations