Geometry & MOs

Info

ID:	137503
PubChem CID:	52215651
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	315.11384
ΔH_f, kcal/mol:	-56.6
Dipole, Da:	5.78
IP(EA), eV:	-8.69(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NC=CN2C3=CC=C(C=C3)OC

DOS

IR

Vibrations