Geometry & MOs

Info

ID:	244703
PubChem CID:	99376456
Reduced:	SO3N4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	486.193691
ΔH_f, kcal/mol:	-96.87
Dipole, Da:	6.48
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations