Geometry & MOs

Info

ID:	61139
PubChem CID:	26706041
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	354.065887
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	3.28
IP(EA), eV:	-7.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxynaphthalen-2-yl) (2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N=C(S2)C)C3=CC=CC=C3)OCC

DOS

IR

Vibrations