Geometry & MOs

Info

ID:	120711
PubChem CID:	50741122
Reduced:	ClO2S3N5H16C21 (1)
Stoich.:	AB2C3D5E16F21 (1)
Weight, g/mol:	412.039689
ΔH_f, kcal/mol:	50.74
Dipole, Da:	10.81
IP(EA), eV:	-8.56(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E)-3-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC3=NC(=O)/C(=C/C4=CC=C(C=C4)Cl)/S3

DOS

IR

Vibrations