Geometry & MOs

Info

ID:	63649
PubChem CID:	26758875
Reduced:	N2O7C19H20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	358.062343
ΔH_f, kcal/mol:	-231.65
Dipole, Da:	2.74
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NCC1=CC=CO1)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations