Geometry & MOs

Info

ID:	172685
PubChem CID:	75541585
Reduced:	BrS2N3O5H16C22 (1)
Stoich.:	AB2C3D5E16F22 (1)
Weight, g/mol:	392.094312
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	3.9
IP(EA), eV:	-9.45(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)Br)C(=C4C(=O)NC(=S)S4)C2=O

DOS

IR

Vibrations