Geometry & MOs

Info

ID:	44673
PubChem CID:	10505248
Reduced:	INO2C24H30 (1)
Stoich.:	ABC2D24E30 (1)
Weight, g/mol:	491.13527
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	13.4
IP(EA), eV:	-7.12(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-iodo-5-tri(propan-2-yl)silyloxyphenyl]carbamate

Drug info:

PubChemData

Smile

C[N+]1(C[C@@H]2[C@H](C1)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5CCCCC5.[I-]

DOS

IR

Vibrations