Geometry & MOs

Info

ID:	30957
PubChem CID:	853920
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	341.094646
ΔH_f, kcal/mol:	46.7
Dipole, Da:	2.8
IP(EA), eV:	-8.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[(4-phenylthiatriazol-5-ylidene)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C)C

DOS

IR

Vibrations