Geometry & MOs

Info

ID:	41510
PubChem CID:	8146038
Reduced:	O2S2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	319.000467
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	4.8
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorodithiazol-5-ylidene)amino]-N-phenylaniline

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C(=S)SC(=N2)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations