Geometry & MOs

Info

ID:

185021

PubChem CID:

77241596

Reduced:

Cl2O3N8C30H30 (1)

Stoich.:

A2B3C8D30E30 (1)

Weight, g/mol:

677.178104

ΔHf, kcal/mol:

0.35

Dipole, Da:

5.4

IP(EA), eV:

 -9.3(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-chloro-2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]-3-[methyl-(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-1H-imidazol-4-yl]phenyl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C1CC2C(CC(=O)NC2C(C1)C3=C(N=C(N3)C(CC4=CC=CC=C4)NC(=O)C=CC5=C(C=CC(=C5)Cl)N6C=NN=N6)Cl)O

DOS

IR

Vibrations