Geometry & MOs

Info

ID:

173129

PubChem CID:

75602119

Reduced:

O7C16H22 (1)

Stoich.:

A7B16C22 (1)

Weight, g/mol:

687.338047

ΔHf, kcal/mol:

-299.05

Dipole, Da:

3.09

IP(EA), eV:

 -9.89(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[4-[[1-[2-(methoxycarbonylamino)butanoyl]pyrrolidine-3-carbonyl]amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations