Geometry & MOs

Info

ID:	65088
PubChem CID:	29204451
Reduced:	SN3O5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-164.16
Dipole, Da:	6.91
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations