Geometry & MOs

Info

ID:	155126
PubChem CID:	56320727
Reduced:	FSN3O5C21H26 (1)
Stoich.:	ABC3D5E21F26 (1)
Weight, g/mol:	417.145534
ΔH_f, kcal/mol:	-219.26
Dipole, Da:	6.39
IP(EA), eV:	-9.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(4-chlorobenzoyl)amino]butanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CN(CCCC(=O)NCCCNC(=O)C1=CC(=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations