Geometry & MOs

Info

ID:	330459
PubChem CID:	127247866
Reduced:	SO3N5C12H21 (1)
Stoich.:	AB3C5D12E21 (1)
Weight, g/mol:	318.082033
ΔH_f, kcal/mol:	-80.53
Dipole, Da:	6.83
IP(EA), eV:	-9.21(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CN2CCN(CC(C2)C(=O)N)S(=O)(=O)C

DOS

IR

Vibrations