Geometry & MOs

Info

ID:	28100
PubChem CID:	825557
Reduced:	O2N3H15C20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	325.063346
ΔH_f, kcal/mol:	32.6
Dipole, Da:	1.15
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-nitrophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4

DOS

IR

Vibrations