Geometry & MOs

Info

ID:

187288

PubChem CID:

77554867

Reduced:

NSO5C17H21 (1)

Stoich.:

ABC5D17E21 (1)

Weight, g/mol:

795.37041

ΔHf, kcal/mol:

-197.78

Dipole, Da:

11.51

IP(EA), eV:

 -9.9(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-1-[2-[6-[[N-[[2-[1-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]anilino]methyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CC(CC2C(=O)O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations