Geometry & MOs

Info

ID:	391469
PubChem CID:	135005530
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	323.100502
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	4.21
IP(EA), eV:	-9.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[2-methyl-1-(4-nitrophenyl)-3-oxopropyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)C[C@@H](C[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations