Geometry & MOs

Info

ID:

188432

PubChem CID:

77716896

Reduced:

ClO2N3C28H28 (1)

Stoich.:

AB2C3D28E28 (1)

Weight, g/mol:

513.225516

ΔHf, kcal/mol:

-32.91

Dipole, Da:

4.07

IP(EA), eV:

 -8.33(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[(4-carbamimidoylanilino)methyl]-4-methyl-1H-benzimidazol-5-yl]-3-oxo-3-pyrrolidin-1-ylpropyl]amino]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)C(=C(N2)C)CC(=O)NC(CC3=CC=CC=C3)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations