Geometry & MOs

Info

ID:	134746
PubChem CID:	51750407
Reduced:	N2O4C27H40 (1)
Stoich.:	A2B4C27D40 (1)
Weight, g/mol:	438.288243
ΔH_f, kcal/mol:	-174.78
Dipole, Da:	6.69
IP(EA), eV:	-9.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3S)-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](C2=CC(=CC=C2)O)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations