Geometry & MOs

Info

ID:	86688
PubChem CID:	49888518
Reduced:	ClNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	494.106706
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	5.43
IP(EA), eV:	-8.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations