Geometry & MOs

Info

ID:	140072
PubChem CID:	52642160
Reduced:	ClSN3O4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	471.194026
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	6.24
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-(phenylcarbamoylamino)butanamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N=C4CCCN4C

DOS

IR

Vibrations