Geometry & MOs

Info

ID:	344189
PubChem CID:	127267365
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	345.096955
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	4.7
IP(EA), eV:	-9.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzylsulfanylpyrazin-2-yl)-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)CC(=O)N2CCCC(C2)C(=O)NCC3CC3

DOS

IR

Vibrations