Geometry & MOs

Info

ID:	437296
PubChem CID:	135222064
Reduced:	O2S2N5C19H23 (1)
Stoich.:	A2B2C5D19E23 (1)
Weight, g/mol:	1050.148291
ΔH_f, kcal/mol:	-0.58
Dipole, Da:	3.93
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2=NC3=C(S2)C=C(C=C3)C4(CS(=O)(=O)C(C(=N4)N)(C)C)C)C

DOS

IR

Vibrations