Geometry & MOs

Info

ID:

44510

PubChem CID:

10503855

Reduced:

N5O5C23H27 (1)

Stoich.:

A5B5C23D27 (1)

Weight, g/mol:

453.212452

ΔHf, kcal/mol:

-131.04

Dipole, Da:

6.26

IP(EA), eV:

 -8.47(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(=O)C2=C1C=CC(=C2)N3CCNCC3)CC(=O)N[C@@H](CC(=O)O)C4=C[N+](=CC=C4)[O-]

DOS

IR

Vibrations