Geometry & MOs

Info

ID:	245030
PubChem CID:	99432178
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-22.29
Dipole, Da:	1.93
IP(EA), eV:	-8.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dimethylphenyl)-N-[4-(oxan-4-ylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4CCOCC4

DOS

IR

Vibrations