Geometry & MOs

Info

ID:	43306
PubChem CID:	10321087
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	441.230394
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	3.09
IP(EA), eV:	-9.0(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-phenylcyclohexyl] (2S)-2-benzamido-2-methyl-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N)NC[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations