Geometry & MOs

Info

ID:	238066
PubChem CID:	92729650
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-125.28
Dipole, Da:	4.26
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations