Geometry & MOs

Info

ID:	196363
PubChem CID:	78815044
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	3.69
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations