Geometry & MOs

Info

ID:	349239
PubChem CID:	127274965
Reduced:	OS2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	80.58
Dipole, Da:	6.38
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations