Geometry & MOs

Info

ID:	368033
PubChem CID:	127326629
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	10.96
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)N3CCCC3)OC

DOS

IR

Vibrations