Geometry & MOs

Info

ID:	171148
PubChem CID:	75336396
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	476.04054
ΔH_f, kcal/mol:	-131.78
Dipole, Da:	9.63
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[1-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)S3)CC(=O)OC)C)C

DOS

IR

Vibrations