Geometry & MOs

Info

ID:	132725
PubChem CID:	51407106
Reduced:	NO7C28H35 (1)
Stoich.:	AB7C28D35 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-283.0
Dipole, Da:	4.6
IP(EA), eV:	-7.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enylamino)butylidene]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H]2C3=C(C[C@H]([C@@H](C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCC4)C)OC

DOS

IR

Vibrations