Geometry & MOs

Info

ID:	89914
PubChem CID:	49965345
Reduced:	ClO3N4H15C21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	493.061357
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	4.8
IP(EA), eV:	-8.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[(3-carbamoyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations