Geometry & MOs

Info

ID:	41932
PubChem CID:	8147861
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-165.04
Dipole, Da:	4.18
IP(EA), eV:	-8.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-4-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoic acid

Drug info:

PubChemData

Smile

CCNC(=O)COC1=C(C=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2)OC

DOS

IR

Vibrations