Geometry & MOs

Info

ID:	238074
PubChem CID:	92729658
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-146.72
Dipole, Da:	5.17
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NCC=C

DOS

IR

Vibrations