Geometry & MOs

Info

ID:	135722
PubChem CID:	51921331
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-205.81
Dipole, Da:	2.94
IP(EA), eV:	-9.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)NC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations