Geometry & MOs

Info

ID:

443846

PubChem CID:

135260154

Reduced:

ClF2O2N5C32H34 (1)

Stoich.:

AB2C2D5E32F34 (1)

Weight, g/mol:

435.273321

ΔHf, kcal/mol:

-95.2

Dipole, Da:

5.81

IP(EA), eV:

 -8.13(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxyethyl (Z)-6-(dimethylamino)-3-(2-methylprop-2-enoylamino)-2-[1-(2-oxoazepan-1-yl)prop-2-enyl]hex-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)N)C(CC4=CC(=CC(=C4)F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations