Geometry & MOs

Info

ID:	343462
PubChem CID:	127266635
Reduced:	F2N2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	343.145344
ΔH_f, kcal/mol:	-197.65
Dipole, Da:	4.21
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(2S)-3-methoxybutan-2-yl]sulfamoyl]-2,4,6-trimethylphenyl]acetic acid

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CN2CCOC3=CC(=C(C=C32)F)F

DOS

IR

Vibrations