Geometry & MOs

Info

ID:

180235

PubChem CID:

76602517

Reduced:

BN3O3C15H24 (1)

Stoich.:

AB3C3D15E24 (1)

Weight, g/mol:

729.283235

ΔHf, kcal/mol:

-73.69

Dipole, Da:

3.58

IP(EA), eV:

 -8.64(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-8,11-dioxo-10-propan-2-yl-3,17-dioxa-2,9,12-triazapentacyclo[16.9.2.14,7.021,28.022,27]triaconta-1,14,18(29),19,21(28),22,24,26-octaene-6-carboxamide

Drug info:

PubChemData

Smile

[B]NC=C(N1CC(CC1C(=O)NC2(CC2CC)C(=O)C)C)O

DOS

IR

Vibrations