Geometry & MOs

Info

ID:	233903
PubChem CID:	92192330
Reduced:	SCl2N2O6C21H24 (1)
Stoich.:	AB2C2D6E21F24 (1)
Weight, g/mol:	456.104119
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	3.33
IP(EA), eV:	-10.01(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C(C)C)N(CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations