Geometry & MOs

Info

ID:	305305
PubChem CID:	124767978
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	558.104992
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	7.34
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-oxoethyl] 4-[(3S)-3-[(3R,5S)-3,5-dimethylpiperidine-1-carbothioyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]2C(=O)O)C=C3

DOS

IR

Vibrations