Geometry & MOs

Info

ID:	222727
PubChem CID:	85332170
Reduced:	ClN2O5C26H37 (1)
Stoich.:	AB2C5D26E37 (1)
Weight, g/mol:	493.232519
ΔH_f, kcal/mol:	-216.37
Dipole, Da:	2.78
IP(EA), eV:	-9.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(hydroxycarbamoyl)-4-[[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1COCC(=CCC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CC=CC=N2)C)Cl

DOS

IR

Vibrations