Geometry & MOs

Info

ID:	33660
PubChem CID:	7887363
Reduced:	FS2O3N4H15C17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	328.120526
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	8.13
IP(EA), eV:	-9.16(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(carbamoylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

DOS

IR

Vibrations