Geometry & MOs

Info

ID:	155116
PubChem CID:	56320709
Reduced:	BrClN2O4C19H20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	437.107913
ΔH_f, kcal/mol:	-131.19
Dipole, Da:	5.92
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-hydroxybenzoyl)amino]propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCNC(=O)C1=CC(=CC=C1)O)OC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations