Geometry & MOs

Info

ID:	134707
PubChem CID:	51742656
Reduced:	N2O3C27H38 (1)
Stoich.:	A2B3C27D38 (1)
Weight, g/mol:	452.303893
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	6.35
IP(EA), eV:	-9.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-N-tert-butyl-2-[3-cyclohexylpropanoyl(furan-2-ylmethyl)amino]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](C(=O)NC(C)(C)C)N(CC2=CC=CO2)C(=O)CCC3CCCCC3

DOS

IR

Vibrations