Geometry & MOs

Info

ID:	425319
PubChem CID:	135125920
Reduced:	ClNOF3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	469.058708
ΔH_f, kcal/mol:	-188.34
Dipole, Da:	6.39
IP(EA), eV:	-9.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-1-fluoroethenyl]-5-chloropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC1[C@@H](CC2=CC=C(C=C2)CCNC(=O)C(F)(F)F)Cl

DOS

IR

Vibrations