Geometry & MOs

Info

ID:

298091

PubChem CID:

117647486

Reduced:

NH20C27 (2)

Stoich.:

AB20C27 (2)

Weight, g/mol:

379.131425

ΔHf, kcal/mol:

231.44

Dipole, Da:

0.71

IP(EA), eV:

 -8.16(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-methyl-3-(2-propan-2-ylphenyl)sulfonylurea

Drug info:

PubChemData

Smile

CC1(C2C=C(C3CC24C3C=CC5=C4C1=CC(=C5)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations