Geometry & MOs

Info

ID:	430739
PubChem CID:	135170806
Reduced:	FN2O2C26H29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	438.197714
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	5.24
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[4-[3-(methylideneamino)-4-[(Z)-prop-1-enyl]phenyl]phenyl]sulfonylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4CCC4)F)N=C

DOS

IR

Vibrations