Geometry & MOs

Info

ID:	133285
PubChem CID:	51504251
Reduced:	FNO3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	447.093858
ΔH_f, kcal/mol:	-131.95
Dipole, Da:	3.47
IP(EA), eV:	-7.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]sulfanyl-6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CN2[C@@H]3CC[C@H]2CC(C3)(C4=CC=CC=C4F)O)OC)OC

DOS

IR

Vibrations