Geometry & MOs

Info

ID:

190807

PubChem CID:

78059812

Reduced:

O6N7C37H57 (1)

Stoich.:

A6B7C37D57 (1)

Weight, g/mol:

711.468333

ΔHf, kcal/mol:

-262.36

Dipole, Da:

5.39

IP(EA), eV:

 -9.45(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclohexyl-2-[[1-[[1-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]amino]-3-methyl-1-oxoheptan-2-yl]-ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C(C2CCCC2)N(CC)C(=O)C(C(C)(C)C)NC(=O)C(C3CCCCC3)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations