Geometry & MOs

Info

ID:	134747
PubChem CID:	51750501
Reduced:	N2O3C27H38 (1)
Stoich.:	A2B3C27D38 (1)
Weight, g/mol:	438.288243
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	4.08
IP(EA), eV:	-9.33(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1-(cyclohexylamino)-1-oxo-3-phenylbutan-2-yl]-N-(furan-2-ylmethyl)hexanamide

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