Geometry & MOs

Info

ID:	69100
PubChem CID:	46518432
Reduced:	OSN2H7C9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	489.147075
ΔH_f, kcal/mol:	53.83
Dipole, Da:	2.44
IP(EA), eV:	-8.88(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations