Geometry & MOs

Info

ID:	134748
PubChem CID:	51750502
Reduced:	N2O3C27H38 (1)
Stoich.:	A2B3C27D38 (1)
Weight, g/mol:	487.223784
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	6.56
IP(EA), eV:	-9.16(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-(4-chlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(CC1=CC=CO1)[C@@H]([C@H](C)C2=CC=CC=C2)C(=O)NC3CCCCC3

DOS

IR

Vibrations