Geometry & MOs

Info

ID:	32159
PubChem CID:	4266417
Reduced:	SN3O3H27C29 (1)
Stoich.:	AB3C3D27E29 (1)
Weight, g/mol:	403.155036
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	8.17
IP(EA), eV:	-8.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[2-(2-morpholin-4-ium-4-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one;chloride

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)SC2=N1)C4=C(C=CC5=CC=CC=C54)OC)C(=O)C

DOS

IR

Vibrations