Geometry & MOs

Info

ID:	64131
PubChem CID:	29196285
Reduced:	SF2N4O4C23H26 (1)
Stoich.:	AB2C4D4E23F26 (1)
Weight, g/mol:	457.146013
ΔH_f, kcal/mol:	-204.12
Dipole, Da:	4.63
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-[(5S)-3-cyclopropyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations