Geometry & MOs

Info

ID:

185022

PubChem CID:

77241622

Reduced:

Cl2O4N11H29C30 (1)

Stoich.:

A2B4C11D29E30 (1)

Weight, g/mol:

641.16687

ΔHf, kcal/mol:

6.46

Dipole, Da:

7.02

IP(EA), eV:

 -8.6(-1.33)

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-morpholin-4-yl-3-oxopropyl]-1H-imidazol-4-yl]phenyl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)N(C)C(=O)CC(C2=NC(=C(N2)Cl)C3=CC=C(C=C3)N(C)C(=O)O)NC(=O)CCC4=C(C=CC(=C4)Cl)N5C=NN=N5

DOS

IR

Vibrations