Geometry & MOs

Info

ID:	141193
PubChem CID:	52834806
Reduced:	BrN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	430.089523
ΔH_f, kcal/mol:	-54.47
Dipole, Da:	5.33
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]thiophen-3-yl]sulfonyl-(4-methylphenyl)azanide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)OCCC=C

DOS

IR

Vibrations