Geometry & MOs

Info

ID:	237267
PubChem CID:	92718064
Reduced:	ClN3O4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	454.192629
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	2.55
IP(EA), eV:	-8.83(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N[C@H](C)C3=CC=CC=C3OC)C)Cl

DOS

IR

Vibrations