Geometry & MOs

Info

ID:	64045
PubChem CID:	26759757
Reduced:	N2O6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	494.127836
ΔH_f, kcal/mol:	-175.4
Dipole, Da:	2.08
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations