Geometry & MOs

Info

ID:	330547
PubChem CID:	127247954
Reduced:	SO3N5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	332.097683
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	3.92
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)S(=O)(=O)C)CC2=CN=CN=C2

DOS

IR

Vibrations