Geometry & MOs

Info

ID:	179969
PubChem CID:	76559825
Reduced:	ClN3O5C33H44 (1)
Stoich.:	AB3C5D33E44 (1)
Weight, g/mol:	478.117413
ΔH_f, kcal/mol:	-216.95
Dipole, Da:	5.9
IP(EA), eV:	-9.16(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-hydroxycyclopentyl)oxy-3-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CC(CC2=CC=CC=C2)C(=O)NC(CCCCC(=C)N)C(=O)CCl

DOS

IR

Vibrations