Geometry & MOs

Info

ID:	147106
PubChem CID:	53786759
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	601.372701
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	3.98
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[(2-benzyl-4-morpholin-4-yl-4-oxobutanoyl)amino]-4-methylpentanoyl]amino]-4-cyclohexyl-2-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2CN=CC1=O

DOS

IR

Vibrations