Geometry & MOs

Info

ID:	156851
PubChem CID:	56394726
Reduced:	SN3O4C27H31 (1)
Stoich.:	AB3C4D27E31 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	8.07
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations