Geometry & MOs

Info

ID:	52138
PubChem CID:	12014927
Reduced:	ClN2O3C36H47 (1)
Stoich.:	AB2C3D36E47 (1)
Weight, g/mol:	315.131802
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	6.63
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-furan-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations