Geometry & MOs

Info

ID:	44545
PubChem CID:	10503981
Reduced:	SN2O9C19H24 (1)
Stoich.:	AB2C9D19E24 (1)
Weight, g/mol:	456.186064
ΔH_f, kcal/mol:	-359.97
Dipole, Da:	3.05
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(2,2-dimethylpropanoylamino)-6,8-difluoro-4-oxochromen-2-yl]phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H]2[C@H]([C@H]([C@](O2)(COS(=O)(=O)C)N3C=C(C(=O)NC3=O)C)O)O

DOS

IR

Vibrations