Geometry & MOs

Info

ID:	5073
PubChem CID:	12550
Reduced:	N2O9C28H40 (1)
Stoich.:	A2B9C28D40 (1)
Weight, g/mol:	548.273381
ΔH_f, kcal/mol:	-413.31
Dipole, Da:	9.18
IP(EA), eV:	-8.89(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C

DOS

IR

Vibrations