Geometry & MOs

Info

ID:	33042
PubChem CID:	7850454
Reduced:	SN4O5H18C19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	-131.37
Dipole, Da:	6.57
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC(=O)N3CCNC3=O

DOS

IR

Vibrations