Geometry & MOs

Info

ID:	222824
PubChem CID:	85332651
Reduced:	NO8C30H45 (1)
Stoich.:	AB8C30D45 (1)
Weight, g/mol:	547.398522
ΔH_f, kcal/mol:	-388.73
Dipole, Da:	5.1
IP(EA), eV:	-9.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[5,6-dihydroxy-2,8-dimethyl-7-(2-methylpropylcarbamoyl)nonan-4-yl]-4-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1(OCC2(C3CCC(=C)C(C3(CCC2O1)C)CC=C4C(COC4=O)OC(=O)CNC(=O)OC(C)(C)C)C)C

DOS

IR

Vibrations