Geometry & MOs

Info

ID:	86217
PubChem CID:	49882980
Reduced:	S2O3N4C23H26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	464.074361
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	5.53
IP(EA), eV:	-8.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)N4CCCC4

DOS

IR

Vibrations