Geometry & MOs

Info

ID:	313523
PubChem CID:	126615323
Reduced:	SF2N2O5C26H30 (1)
Stoich.:	AB2C2D5E26F30 (1)
Weight, g/mol:	313.066283
ΔH_f, kcal/mol:	-252.94
Dipole, Da:	3.11
IP(EA), eV:	-7.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,6-difluoro-3-hydroxybenzoyl)-4a,8a-dihydroquinoxaline-2-carbonitrile

Drug info:

PubChemData

Smile

CS(C)(C)C1=C(C=C(C=C1F)NC(=O)[C@H]2C3=C(CCN2C(=O)CCCC(=O)O)C=C4C(=C3)CCO4)F

DOS

IR

Vibrations