Geometry & MOs

Info

ID:	417829
PubChem CID:	135102885
Reduced:	NSO2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	362.09681
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	2.9
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-(4-chlorophenyl)sulfanylethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations