Geometry & MOs

Info

ID:

68195

PubChem CID:

46507946

Reduced:

ClSO4N5H14C16 (1)

Stoich.:

ABC4D5E14F16 (1)

Weight, g/mol:

484.138068

ΔHf, kcal/mol:

6.24

Dipole, Da:

1.48

IP(EA), eV:

 -9.24(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(difluoromethoxy)phenyl]-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations