Geometry & MOs

Info

ID:	187401
PubChem CID:	77570034
Reduced:	NOC24H33 (1)
Stoich.:	ABC24D33 (1)
Weight, g/mol:	545.0498
ΔH_f, kcal/mol:	26.38
Dipole, Da:	9.54
IP(EA), eV:	-9.02(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[2-[[1-carboxy-2-(3,4-difluorophenyl)ethyl]carbamoyl]-5-chloro-N-sulfinatoanilino]quinoxaline

Drug info:

PubChemData

Smile

CCC1(C2CC2C3C1(CCC4C3C(CC5=CC(=O)CCC45C)C)C)C#N

DOS

IR

Vibrations