Geometry & MOs

Info

ID:	186086
PubChem CID:	77389625
Reduced:	O6C17H18 (1)
Stoich.:	A6B17C18 (1)
Weight, g/mol:	664.347215
ΔH_f, kcal/mol:	-208.9
Dipole, Da:	3.58
IP(EA), eV:	-9.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-[3-[4-(2,6-diaminohexanoyloxy)-3-methoxyphenyl]prop-2-enoyl]-2-oxocyclohexylidene]methyl]-2-(hydroxymethyl)phenyl] 2,6-diaminohexanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=C)C(=O)OC1=CC=C(C=C1)C=CC(=O)OC

DOS

IR

Vibrations