Geometry & MOs

Info

ID:	196482
PubChem CID:	78836716
Reduced:	ClO3N5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	424.109293
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	3.5
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)O)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations