Geometry & MOs

Info

ID:	238061
PubChem CID:	92729645
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	7.19
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations