Geometry & MOs

Info

ID:	60732
PubChem CID:	26697523
Reduced:	SN2Cl3O3H17C18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	486.160677
ΔH_f, kcal/mol:	-107.38
Dipole, Da:	5.92
IP(EA), eV:	-9.14(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations