Geometry & MOs

Info

ID:	238098
PubChem CID:	92729682
Reduced:	SN3O4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	481.203528
ΔH_f, kcal/mol:	-126.06
Dipole, Da:	10.65
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopropyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)N4CCC[C@H](C4)C(=O)NC5CC5

DOS

IR

Vibrations