Geometry & MOs

Info

ID:	424180
PubChem CID:	135121635
Reduced:	NOH27C32 (1)
Stoich.:	ABC27D32 (1)
Weight, g/mol:	470.152495
ΔH_f, kcal/mol:	62.11
Dipole, Da:	2.55
IP(EA), eV:	-8.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[4-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]phenyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)C(=O)C)C4=CC=C(C=C4)C)C5=CC=CC=C5

DOS

IR

Vibrations