Geometry & MOs

Info

ID:	221595
PubChem CID:	85285416
Reduced:	NSO3C13H13 (2)
Stoich.:	ABC3D13E13 (2)
Weight, g/mol:	524.256274
ΔH_f, kcal/mol:	-189.06
Dipole, Da:	1.71
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6,7-tetramethyl-5-phenylmethoxy-3H-1-benzofuran-2-yl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)N(C(=O)N2CC3=CC=CC=C3SC)CC(=O)O)C4=CC=C(C=C4)OCC(=O)C

DOS

IR

Vibrations