Geometry & MOs

Info

ID:	80284
PubChem CID:	49833845
Reduced:	FCl2O4N7H32C40 (1)
Stoich.:	AB2C4D7E32F40 (1)
Weight, g/mol:	213.147727
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	11.31
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(2-oxopyrrolidin-1-yl)hexanamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=CC=C(C=C6)CO)C7=CC(=C(C(=C7)Cl)F)Cl)CC8=CC=C(C=C8)C#N

DOS

IR

Vibrations