Geometry & MOs

Info

ID:	33053
PubChem CID:	7850495
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	4.47
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CC1)OC(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations