Geometry & MOs

Info

ID:	54390
PubChem CID:	17137185
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	9.83
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations