Geometry & MOs

Info

ID:	67599
PubChem CID:	46506793
Reduced:	SN2O7C23H26 (1)
Stoich.:	AB2C7D23E26 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-251.58
Dipole, Da:	7.53
IP(EA), eV:	-8.14(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2,5-dimethylphenyl)sulfonylmethyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)OC

DOS

IR

Vibrations