Geometry & MOs

Info

ID:	222772
PubChem CID:	85332439
Reduced:	O7N8C23H24 (1)
Stoich.:	A7B8C23D24 (1)
Weight, g/mol:	524.201947
ΔH_f, kcal/mol:	-199.95
Dipole, Da:	7.51
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(hydroxycarbamoyl)-4-[[4-[(6-nitrobenzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(C(=O)CC(=O)NC1=CC=CC2=C1CNC2=O)C(=O)C3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O

DOS

IR

Vibrations