Geometry & MOs

Info

ID:	238101
PubChem CID:	92729685
Reduced:	SN3O4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-129.64
Dipole, Da:	9.97
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclopropyl-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-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)NC4CC4)C

DOS

IR

Vibrations