Geometry & MOs

Info

ID:	341300
PubChem CID:	127263993
Reduced:	NO3H15C16 (2)
Stoich.:	AB3C15D16 (2)
Weight, g/mol:	433.07501
ΔH_f, kcal/mol:	-188.9
Dipole, Da:	5.87
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2-iodo-6-methylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C[C@H](N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O)C6=CC=CC=C61

DOS

IR

Vibrations