Geometry & MOs

Info

ID:

221725

PubChem CID:

85286079

Reduced:

ClON3S3H28C33 (1)

Stoich.:

ABC3D3E28F33 (1)

Weight, g/mol:

614.212512

ΔHf, kcal/mol:

76.8

Dipole, Da:

3.66

IP(EA), eV:

 -8.0(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[4-benzyl-4-(4-carbamimidoylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C3=CC=CC=C3C=C2)SC1=CC4=[N+](C(=O)C(=CC=C5N(C6=C(S5)C=CC7=CC=CC=C76)C)S4)CC.[Cl-]

DOS

IR

Vibrations