Geometry & MOs

Info

ID:	312047
PubChem CID:	126602150
Reduced:	BrN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	657.305015
ΔH_f, kcal/mol:	-122.35
Dipole, Da:	2.46
IP(EA), eV:	-9.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-[2-[9-benzyl-5-carbamoyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-3-yl]oxyethoxy]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOC1=NC=C(C=C1)Br

DOS

IR

Vibrations