Geometry & MOs

Info

ID:	171101
PubChem CID:	75328322
Reduced:	BrNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	575.074026
ΔH_f, kcal/mol:	-76.36
Dipole, Da:	5.0
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)methyl]-5-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations