Geometry & MOs

Info

ID:	67600
PubChem CID:	46506794
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	515.96606
ΔH_f, kcal/mol:	-181.78
Dipole, Da:	6.54
IP(EA), eV:	-9.15(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(5-bromothiophen-2-yl)sulfonylmethyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CS(=O)(=O)C3=C(C=CC(=C3)C)C)C(=O)OC

DOS

IR

Vibrations