Geometry & MOs

Info

ID:	43358
PubChem CID:	10321173
Reduced:	FO4N7C20H22 (1)
Stoich.:	AB4C7D20E22 (1)
Weight, g/mol:	443.112662
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	5.82
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-3-[(2R)-oxolan-2-yl]-N-pyrazin-2-ylpropanamide

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCN4C=NC5=C4C=CC(=C5)F)CO)O)O

DOS

IR

Vibrations