Geometry & MOs

Info

ID:	245538
PubChem CID:	99453752
Reduced:	ClOSN4C21H21 (1)
Stoich.:	ABCD4E21F21 (1)
Weight, g/mol:	480.161997
ΔH_f, kcal/mol:	31.17
Dipole, Da:	2.95
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(2,3-dihydroindol-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)N3CCCC4=C3C=CC(=C4)Cl)C

DOS

IR

Vibrations