Geometry & MOs

Info

ID:	64123
PubChem CID:	29196260
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	7.17
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations