Geometry & MOs

Info

ID:	364327
PubChem CID:	127315426
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	265.080636
ΔH_f, kcal/mol:	-40.56
Dipole, Da:	5.94
IP(EA), eV:	-9.01(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-methylsulfonyl-1-(1,4-thiazepan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)C(=O)N2CC3(CC2CC(C3)(C)C)C

DOS

IR

Vibrations