Geometry & MOs

Info

ID:

189120

PubChem CID:

77819755

Reduced:

BrClN3C11H11 (1)

Stoich.:

ABC3D11E11 (1)

Weight, g/mol:

638.451954

ΔHf, kcal/mol:

44.62

Dipole, Da:

3.16

IP(EA), eV:

 -9.32(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-2-[2-[1-[[1-(2,4-dimethyl-1-bicyclo[1.1.0]butanyl)-2-(methylamino)ethyl]amino]ethenylamino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=NC(=C(N2)Cl)Br)N

DOS

IR

Vibrations