Geometry & MOs

Info

ID:	134715
PubChem CID:	51744018
Reduced:	N2O3C27H32 (1)
Stoich.:	A2B3C27D32 (1)
Weight, g/mol:	432.241293
ΔH_f, kcal/mol:	-54.21
Dipole, Da:	1.77
IP(EA), eV:	-9.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(butylamino)-2-oxo-1-phenylethyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=CC=C1)N(CC2=CC=CO2)C(=O)[C@@H](CC)C3=CC=CC=C3

DOS

IR

Vibrations