Geometry & MOs

Info

ID:	135715
PubChem CID:	51921295
Reduced:	N2O6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-229.47
Dipole, Da:	6.45
IP(EA), eV:	-8.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=C3CCC(=NC(=O)C)CC3OC(=C2)O

DOS

IR

Vibrations