Geometry & MOs

Info

ID:	245032
PubChem CID:	99432182
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	370.144806
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	2.4
IP(EA), eV:	-8.04(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-methylphenyl)-N-[4-(oxan-4-ylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)NC3=CC=C(C=C3)NC4CCOCC4

DOS

IR

Vibrations