Geometry & MOs

Info

ID:	441831
PubChem CID:	135245530
Reduced:	ClN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	591.12906
ΔH_f, kcal/mol:	11.49
Dipole, Da:	6.22
IP(EA), eV:	-8.54(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-[(E)-1-bromobut-1-enyl]sulfanylpropan-2-yl]pyridin-2-yl]-2-(2,4-difluorophenyl)-3-[ethyl-(2-methyliminohydrazinyl)amino]-1,1-difluoropropan-2-ol

Drug info:

PubChemData

Smile

CC/C(=C/C(=NC1=CC(=C(C=C1)C)Cl)C)/N

DOS

IR

Vibrations