Geometry & MOs

Info

ID:

170754

PubChem CID:

75276719

Reduced:

S2N3O6C26H31 (1)

Stoich.:

A2B3C6D26E31 (1)

Weight, g/mol:

723.457099

ΔHf, kcal/mol:

-223.18

Dipole, Da:

4.14

IP(EA), eV:

 -9.22(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[1-[2-[[1-cyclopropyl-3,4-dioxo-4-(1-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

CC1(C2=CC=CC=C2C(=O)C(=C3NC4=C(C=C(C=C4)NS(=O)(=O)C)S(=O)(=O)N3)C1=O)CCCC(C)(C)C

DOS

IR

Vibrations