Geometry & MOs

Info

ID:	309275
PubChem CID:	126541504
Reduced:	N5O11C21H41 (1)
Stoich.:	A5B11C21D41 (1)
Weight, g/mol:	406.10044
ΔH_f, kcal/mol:	-492.51
Dipole, Da:	8.32
IP(EA), eV:	-9.56(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[1-amino-5-(4-bromophenyl)imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](C[C@@H]([C@H](O2)O[C@@H]3C(C[C@H]([C@H](C3O)O)N)N)N)OC1O[C@@H]4C([C@H]([C@@H](C(O4)CO)N)O)O)O

DOS

IR

Vibrations