Geometry & MOs

Info

ID:	330465
PubChem CID:	127247872
Reduced:	SN4O4C13H24 (1)
Stoich.:	AB4C4D13E24 (1)
Weight, g/mol:	332.097683
ΔH_f, kcal/mol:	-176.95
Dipole, Da:	6.54
IP(EA), eV:	-9.22(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC(C1)C(=O)N)C(=O)CN2CCCC2

DOS

IR

Vibrations