Geometry & MOs

Info

ID:	147981
PubChem CID:	53787643
Reduced:	S2N5O7C17H17 (1)
Stoich.:	A2B5C7D17E17 (1)
Weight, g/mol:	464.069448
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	4.47
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,5-dichloro-4-[(4-methylbenzoyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C4CCOC4=O)C(=O)O

DOS

IR

Vibrations