Geometry & MOs

Info

ID:	63871
PubChem CID:	26759374
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	407.103873
ΔH_f, kcal/mol:	-112.72
Dipole, Da:	4.83
IP(EA), eV:	-8.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C

DOS

IR

Vibrations