Geometry & MOs

Info

ID:	237268
PubChem CID:	92718066
Reduced:	SN2O4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	454.192629
ΔH_f, kcal/mol:	-140.22
Dipole, Da:	7.25
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

DOS

IR

Vibrations