Geometry & MOs

Info

ID:	308420
PubChem CID:	125327660
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	483.053433
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	2.57
IP(EA), eV:	-8.56(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5R)-5-(4-methylphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CCCNC(=O)C(=O)C2=C3C=CC=CC3=N[C@H]2C

DOS

IR

Vibrations