Geometry & MOs

Info

ID:	36822
PubChem CID:	8013331
Reduced:	O4H9C10 (2)
Stoich.:	A4B9C10 (2)
Weight, g/mol:	408.189651
ΔH_f, kcal/mol:	-254.57
Dipole, Da:	4.69
IP(EA), eV:	-8.65(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

DOS

IR

Vibrations