Geometry & MOs

Info

ID:	64641
PubChem CID:	29203719
Reduced:	FN2S2O4H15C20 (1)
Stoich.:	AB2C2D4E15F20 (1)
Weight, g/mol:	444.081364
ΔH_f, kcal/mol:	-102.13
Dipole, Da:	2.9
IP(EA), eV:	-9.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)NC(=O)C3=CC4=C(S3)C=C(C=C4)F

DOS

IR

Vibrations