Geometry & MOs

Info

ID:	448402
PubChem CID:	135290652
Reduced:	FON2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	485.129787
ΔH_f, kcal/mol:	22.57
Dipole, Da:	6.18
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]methyl]hydrazinyl]-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC2CN(CC1N2C3COC3)C4=NC=C(C=N4)C5=CC(=C(C(=C5)F)C=O)F

DOS

IR

Vibrations