Geometry & MOs

Info

ID:

47225

PubChem CID:

10530741

Reduced:

FO3N4C33H33 (1)

Stoich.:

AB3C4D33E33 (1)

Weight, g/mol:

553.276115

ΔHf, kcal/mol:

-88.48

Dipole, Da:

4.64

IP(EA), eV:

 -8.74(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[N'-[3-(1H-imidazol-5-yl)propyl]-N-[2-[[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]carbamoylamino]ethyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCN4C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations