Geometry & MOs

Info

ID:	307166
PubChem CID:	125275577
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	9.54
IP(EA), eV:	-8.55(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5R)-5-(4-tert-butylphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]-N-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)[C@H](C=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations