Geometry & MOs

Info

ID:	238072
PubChem CID:	92729656
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-139.04
Dipole, Da:	7.16
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-prop-2-enyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NCC=C)C

DOS

IR

Vibrations