Geometry & MOs

Info

ID:	123169
PubChem CID:	50836279
Reduced:	ClOS2N3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	319.081305
ΔH_f, kcal/mol:	42.16
Dipole, Da:	4.37
IP(EA), eV:	-8.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

DOS

IR

Vibrations