Geometry & MOs

Info

ID:	32976
PubChem CID:	7849904
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	407.103873
ΔH_f, kcal/mol:	-88.21
Dipole, Da:	4.15
IP(EA), eV:	-9.55(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NC2CC2

DOS

IR

Vibrations