Geometry & MOs

Info

ID:	63320
PubChem CID:	26750602
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	9.96
IP(EA), eV:	-9.44(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-3-nitro-N-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations