Geometry & MOs

Info

ID:	61270
PubChem CID:	26707663
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	10.19
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)sulfonyl-N-(2-propoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CC=C3C

DOS

IR

Vibrations