Geometry & MOs

Info

ID:	395871
PubChem CID:	135026806
Reduced:	BrN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	622.14986
ΔH_f, kcal/mol:	-149.05
Dipole, Da:	3.06
IP(EA), eV:	-9.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1R,2R)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-dioxopyrrolidin-1-yl)propyl]carbamate

Drug info:

PubChemData

Smile

C=CC[C@@H]([C@H](NC(=O)OCC1=CC=CC=C1)N2C(=O)CCC2=O)Br

DOS

IR

Vibrations