Geometry & MOs

Info

ID:	407334
PubChem CID:	135079866
Reduced:	BrNSO3C21H28 (1)
Stoich.:	ABCD3E21F28 (1)
Weight, g/mol:	502.228784
ΔH_f, kcal/mol:	-100.26
Dipole, Da:	7.57
IP(EA), eV:	-9.32(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)prop-2-ynyl]-6-azabicyclo[3.1.0]hexan-6-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C=O)CCCCCCCCCCBr

DOS

IR

Vibrations