Geometry & MOs

Info

ID:	226034
PubChem CID:	87246651
Reduced:	BrO2S2C21H28 (2)
Stoich.:	AB2C2D21E28 (2)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-156.01
Dipole, Da:	1.05
IP(EA), eV:	-9.1(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-1-formyloxycyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)COC(=O)C1=C(SC(=C1)C2=CC(=C(S2)C3=CC=C(S3)Br)C(=O)OCC(CCCC)CCCCCC)C4=CC=C(S4)Br

DOS

IR

Vibrations