Geometry & MOs

Info

ID:

168418

PubChem CID:

74965508

Reduced:

OCl2N3C19H21 (1)

Stoich.:

AB2C3D19E21 (1)

Weight, g/mol:

690.308721

ΔHf, kcal/mol:

31.77

Dipole, Da:

11.4

IP(EA), eV:

 -9.05(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-9-methyl-8-oxo-3,17-dioxa-2,9-diazapentacyclo[16.9.2.14,7.021,28.022,27]triaconta-1,18(29),19,21(28),22,24,26-heptaene-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C2CCC(=C3C=C(C(=O)C(=C3)Cl)Cl)NN2

DOS

IR

Vibrations