Geometry & MOs

Info

ID:	60470
PubChem CID:	26697052
Reduced:	SF2N3O4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	439.177707
ΔH_f, kcal/mol:	-213.6
Dipole, Da:	7.52
IP(EA), eV:	-8.71(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)SC(F)F

DOS

IR

Vibrations