Geometry & MOs

Info

ID:

160669

PubChem CID:

57389381

Reduced:

F2O4N5H25C26 (1)

Stoich.:

A2B4C5D25E26 (1)

Weight, g/mol:

731.310118

ΔHf, kcal/mol:

-178.04

Dipole, Da:

6.39

IP(EA), eV:

 -9.79(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C5=CN=CC=C5)F)F

DOS

IR

Vibrations