Geometry & MOs

Info

ID:	330548
PubChem CID:	127247955
Reduced:	S2O3N4C12H20 (1)
Stoich.:	A2B3C4D12E20 (1)
Weight, g/mol:	332.097683
ΔH_f, kcal/mol:	-90.73
Dipole, Da:	2.74
IP(EA), eV:	-8.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-methylsulfonyl-4-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)S(=O)(=O)C)CC2=CSC=N2

DOS

IR

Vibrations