Geometry & MOs

Info

ID:

449833

PubChem CID:

135301998

Reduced:

O2N3C18H21 (1)

Stoich.:

A2B3C18D21 (1)

Weight, g/mol:

559.202952

ΔHf, kcal/mol:

5.79

Dipole, Da:

5.22

IP(EA), eV:

 -8.36(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[[(2S)-3-[[4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-enyl]-2,6-difluorophenyl]methylamino]-2-hydroxypropyl]amino]-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C#CC1=CN=C(C=C1)N2CC3CCC(C2)N3C(=O)[C@@H]4CCCO4

DOS

IR

Vibrations