Geometry & MOs

Info

ID:	203066
PubChem CID:	79773894
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-54.18
Dipole, Da:	4.98
IP(EA), eV:	-8.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-ethylazepan-2-one

Drug info:

PubChemData

Smile

CCNC1=NC=C(S1)CN2C(=O)C=CN(C2=O)CC

DOS

IR

Vibrations