Geometry & MOs

Info

ID:

160681

PubChem CID:

57389428

Reduced:

FO2N4H29C31 (1)

Stoich.:

AB2C4D29E31 (1)

Weight, g/mol:

657.236953

ΔHf, kcal/mol:

-4.65

Dipole, Da:

4.84

IP(EA), eV:

 -9.15(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzenesulfonic acid;ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)N2CCOC3=C(C2)C=C(C=C3)C4=CC=C(C=C4)C(=O)NC5CC5)CC6=CC=C(C=C6)F

DOS

IR

Vibrations