Geometry & MOs

Info

ID:	87317
PubChem CID:	49893950
Reduced:	BrNSO4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	472.101227
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	1.85
IP(EA), eV:	-9.0(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC(=C3)Br)OC)O)/SC2=O

DOS

IR

Vibrations