Geometry & MOs

Info

ID:	436104
PubChem CID:	135193843
Reduced:	O6H10C19 (1)
Stoich.:	A6B10C19 (1)
Weight, g/mol:	289.152537
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	2.4
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-methyl 1-O-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] (2S)-2-methylbutanedioate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C3=C(C=C2)C(=O)C4=C(O3)C=CC5=CC6=C(C=C54)OCO6

DOS

IR

Vibrations