Geometry & MOs

Info

ID:	134727
PubChem CID:	51746469
Reduced:	N2O3C28H30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	468.241293
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	4.72
IP(EA), eV:	-9.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](C(=O)NC(C)(C)C)N(CC2=CC=CO2)C(=O)C#CC3=CC=CC=C3)C

DOS

IR

Vibrations