Geometry & MOs

Info

ID:	391321
PubChem CID:	135004318
Reduced:	SN2O2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-20.11
Dipole, Da:	4.29
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-(tert-butylamino)-7-methyl-9-oxo-2H-cyclopenta[b]chromene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=C(S2)N)C(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations