Geometry & MOs

Info

ID:	61846
PubChem CID:	26713992
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	471.182792
ΔH_f, kcal/mol:	-159.76
Dipole, Da:	7.22
IP(EA), eV:	-9.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C)C

DOS

IR

Vibrations