Geometry & MOs

Info

ID:

169120

PubChem CID:

75067421

Reduced:

Cl2F2O6N7C39H51 (1)

Stoich.:

A2B2C6D7E39F51 (1)

Weight, g/mol:

754.437761

ΔHf, kcal/mol:

-341.59

Dipole, Da:

11.67

IP(EA), eV:

 -8.34(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[2-[[2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]amino]-4-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2CC(=O)N(C(=O)N2)CCCCN3CCN(CC3)C4=C(C=C5C(=C4F)N(C=C(C5=O)C(=O)OCCN6CCOCC6)C7CC7)F)C.Cl.Cl

DOS

IR

Vibrations