Geometry & MOs

Info

ID:

170755

PubChem CID:

75276742

Reduced:

N5O7C40H61 (1)

Stoich.:

A5B7C40D61 (1)

Weight, g/mol:

723.457099

ΔHf, kcal/mol:

-323.81

Dipole, Da:

4.35

IP(EA), eV:

 -9.29(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(2-phenylethylamino)butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C(=O)C(CC2CC2)NC(=O)C3C4C(C4(C)C)CN3C(=O)C(C(C)(C)C)NC(=O)NC(C(=O)OC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations