Geometry & MOs

Info

ID:	230823
PubChem CID:	87572080
Reduced:	NSO4C10H21 (1)
Stoich.:	ABC4D10E21 (1)
Weight, g/mol:	464.242356
ΔH_f, kcal/mol:	-158.43
Dipole, Da:	3.14
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[4-[1-isocyanato-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]phenyl]-1H-indazol-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN(OCC)S(=O)C(C)(C)C(=O)OCC

DOS

IR

Vibrations