Geometry & MOs

Info

ID:	390672
PubChem CID:	135000291
Reduced:	NO5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	440.125337
ΔH_f, kcal/mol:	-131.02
Dipole, Da:	7.45
IP(EA), eV:	-9.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (5Z)-1-(2-nitrophenyl)sulfonyl-2,3,4,7,9,10-hexahydroazecine-8,8-dicarboxylate

Drug info:

PubChemData

Smile

CC[N+](=C(C1CC1)C(=O)OCC)C2=CC=C(C=C2)OC.C1=CC=C(C=C1)C(=O)[O-]

DOS

IR

Vibrations