Geometry & MOs

Info

ID:	155047
PubChem CID:	56317839
Reduced:	SN3O3H15C19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	468.067445
ΔH_f, kcal/mol:	5.18
Dipole, Da:	4.64
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC2=CC=C(C=C2)C#N)OCC3=CSC=N3

DOS

IR

Vibrations