Geometry & MOs

Info

ID:	324235
PubChem CID:	126677203
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	483.20238
ΔH_f, kcal/mol:	69.89
Dipole, Da:	4.01
IP(EA), eV:	-8.78(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloro-2-cyclopropylphenyl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C#N)C(C)(C)C)OCC2=C3C=NC(=NC3=NN2)SC

DOS

IR

Vibrations