Geometry & MOs

Info

ID:	317210
PubChem CID:	126633264
Reduced:	FN3O6H34C35 (1)
Stoich.:	AB3C6D34E35 (1)
Weight, g/mol:	369.142367
ΔH_f, kcal/mol:	-170.45
Dipole, Da:	2.85
IP(EA), eV:	-8.95(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-(4-amino-2,2-dimethyl-3,4-dioxobutyl) 1-O-(2,2-dimethyl-3,4-dioxopentyl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CC1=NC2=CC3=NN2C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC=C(C=C4)OCCOCCOC5=C(C=CC(=C5)F)C6=CC3=CC=C6

DOS

IR

Vibrations