Geometry & MOs

Info

ID:	155125
PubChem CID:	56320725
Reduced:	SN3O4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	451.15772
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	6.54
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations