Geometry & MOs

Info

ID:	135008
PubChem CID:	51796215
Reduced:	ClN3O6C25H28 (1)
Stoich.:	AB3C6D25E28 (1)
Weight, g/mol:	443.161184
ΔH_f, kcal/mol:	-248.93
Dipole, Da:	7.67
IP(EA), eV:	-9.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=C(C=C(C=C2O)O)O)N(C3=CC(=CC=C3)Cl)C(=O)[C@@H]4CCC(=O)N4

DOS

IR

Vibrations