Geometry & MOs

Info

ID:	163159
PubChem CID:	57646640
Reduced:	ClS2N3O7H18C26 (1)
Stoich.:	AB2C3D7E18F26 (1)
Weight, g/mol:	302.090272
ΔH_f, kcal/mol:	-156.63
Dipole, Da:	11.39
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxyphenyl)methylcarbamoyl]-4-oxo-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C(=C/2\C(N(C(=O)C2=O)C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)Cl)/O)N

DOS

IR

Vibrations