Geometry & MOs

Info

ID:	86105
PubChem CID:	49881867
Reduced:	OSN2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	462.095096
ΔH_f, kcal/mol:	15.57
Dipole, Da:	6.12
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)SC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

DOS

IR

Vibrations