Geometry & MOs

Info

ID:	31963
PubChem CID:	3725656
Reduced:	ClON2H23C25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	522.07251
ΔH_f, kcal/mol:	30.62
Dipole, Da:	2.35
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)C4=C(C=CC(=C4)Cl)O

DOS

IR

Vibrations