Geometry & MOs

Info

ID:	37299
PubChem CID:	8019263
Reduced:	NO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	418.210387
ΔH_f, kcal/mol:	-229.31
Dipole, Da:	3.02
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations