Geometry & MOs

Info

ID:	155133
PubChem CID:	56320736
Reduced:	SN4O5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	489.193357
ΔH_f, kcal/mol:	-138.44
Dipole, Da:	12.42
IP(EA), eV:	-9.07(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)sulfonyl-N-[3-[(3-hydroxybenzoyl)amino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSCC(=O)NCCCNC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations