Geometry & MOs

Info

ID:	237175
PubChem CID:	92717759
Reduced:	NO6C25H33 (1)
Stoich.:	AB6C25D33 (1)
Weight, g/mol:	443.230788
ΔH_f, kcal/mol:	-226.76
Dipole, Da:	0.91
IP(EA), eV:	-8.85(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations