Geometry & MOs

Info

ID:	63958
PubChem CID:	26759566
Reduced:	ClS2N3O4C22H24 (1)
Stoich.:	AB2C3D4E22F24 (1)
Weight, g/mol:	388.127051
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	5.9
IP(EA), eV:	-9.03(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

DOS

IR

Vibrations