Geometry & MOs

Info

ID:	64121
PubChem CID:	29196254
Reduced:	SN4O5H22C25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	-26.51
Dipole, Da:	6.66
IP(EA), eV:	-8.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-[(5S)-2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[C@@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)CC=C

DOS

IR

Vibrations