Geometry & MOs

Info

ID:	336861
PubChem CID:	127255868
Reduced:	BrNO5C25H32 (1)
Stoich.:	ABC5D25E32 (1)
Weight, g/mol:	288.132136
ΔH_f, kcal/mol:	-208.11
Dipole, Da:	2.95
IP(EA), eV:	-9.5(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(Z)-(1-amino-3-methoxy-1,3-dioxopropan-2-ylidene)amino]oxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)C[C@H](C2=CC=C(C=C2)Br)C(=O)O.C1C[C@H](NC1)CO

DOS

IR

Vibrations