Geometry & MOs

Info

ID:	155119
PubChem CID:	56320712
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	465.172228
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	2.43
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-hydroxybenzoyl)amino]propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)NCCCNC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations