Geometry & MOs

Info

ID:	158501
PubChem CID:	56464101
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	415.086974
ΔH_f, kcal/mol:	-140.54
Dipole, Da:	7.95
IP(EA), eV:	-7.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)CS(=O)(=O)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations