Geometry & MOs

Info

ID:	121404
PubChem CID:	50766893
Reduced:	SN3O4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	4.31
IP(EA), eV:	-8.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonamido)-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCCC(C3)CN4CCCC4)C(=O)O

DOS

IR

Vibrations