Geometry & MOs

Info

ID:	307770
PubChem CID:	125309028
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	508.97148
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	3.53
IP(EA), eV:	-8.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5R)-5-(4-bromophenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NN2C(=O)C1)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations