Geometry & MOs

Info

ID:	46674
PubChem CID:	10526153
Reduced:	SN2O4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	6.19
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)/C=C/C(C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations