Geometry & MOs

Info

ID:

309832

PubChem CID:

126561456

Reduced:

SN6H18C24 (1)

Stoich.:

AB6C18D24 (1)

Weight, g/mol:

541.210738

ΔHf, kcal/mol:

191.97

Dipole, Da:

8.65

IP(EA), eV:

 -8.49(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-1,2,4-triazol-3-yl]-3-(5-methyl-1,4-dihydropyrimidin-2-yl)butane-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)N)NN4)/C=C23

DOS

IR

Vibrations