Geometry & MOs

Info

ID:	425262
PubChem CID:	135125709
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	487.113724
ΔH_f, kcal/mol:	-47.63
Dipole, Da:	3.44
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-[3-(3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl)-4,5-difluorophenyl]-1-fluoroethenyl]pyrazin-2-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC5=C(C(=C4)C)N=CC=C5)CC1

DOS

IR

Vibrations