Geometry & MOs

Info

ID:	325372
PubChem CID:	126682961
Reduced:	BrNO6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	603.1944
ΔH_f, kcal/mol:	-239.37
Dipole, Da:	2.58
IP(EA), eV:	-9.26(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(2R)-7-bromo-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2,4-dimethyl-1,3-benzodioxol-2-yl]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1C(=O)OC)Br)O[C@](O2)(C)C3CCN(CC3)C(=O)OC

DOS

IR

Vibrations