Geometry & MOs

Info

ID:	64666
PubChem CID:	29203826
Reduced:	SF2N2O3H18C20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	499.123563
ΔH_f, kcal/mol:	-116.16
Dipole, Da:	1.59
IP(EA), eV:	-8.76(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)S[C@@H](C)C(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations