Geometry & MOs

Info

ID:	124898
PubChem CID:	50901787
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	460.111795
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	2.84
IP(EA), eV:	-9.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(3,5-dinitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-2H-chromene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)OC1=CN=C(S1)C(C(C)(C)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations