Geometry & MOs

Info

ID:	31375
PubChem CID:	855635
Reduced:	ClOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	278.083747
ΔH_f, kcal/mol:	16.97
Dipole, Da:	3.34
IP(EA), eV:	-9.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=CN2C

DOS

IR

Vibrations