Geometry & MOs

Info

ID:	184695
PubChem CID:	77193857
Reduced:	N3O3C28H35 (1)
Stoich.:	A3B3C28D35 (1)
Weight, g/mol:	543.225702
ΔH_f, kcal/mol:	-95.78
Dipole, Da:	6.75
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(2,3-dihydroxypropoxy)-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl] N-(4-tert-butylphenyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(CC1=CC=CC=C1)C(CC(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)O)O

DOS

IR

Vibrations