Geometry & MOs

Info

ID:	324259
PubChem CID:	126677256
Reduced:	ClPN3O9C22H31 (1)
Stoich.:	ABC3D9E22F31 (1)
Weight, g/mol:	521.08159
ΔH_f, kcal/mol:	-443.23
Dipole, Da:	4.37
IP(EA), eV:	-9.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(COC)NP(=O)(OCC(CCl)OC(C)N1C=CC(=O)NC1=O)OC2=CC=CC=C2

DOS

IR

Vibrations