Geometry & MOs

Info

ID:	224796
PubChem CID:	85355351
Reduced:	N3O10C19H31 (1)
Stoich.:	A3B10C19D31 (1)
Weight, g/mol:	459.135173
ΔH_f, kcal/mol:	-466.26
Dipole, Da:	5.11
IP(EA), eV:	-10.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-[formyl-[1-(4-methylphenyl)sulfonylpent-1-en-2-yl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCCOCCNC(=O)OC1C(C(OC1N2CCC(=O)NC2=O)CO)O

DOS

IR

Vibrations