Geometry & MOs

Info

ID:	349244
PubChem CID:	127274970
Reduced:	S2O3N5C15H25 (1)
Stoich.:	A2B3C5D15E25 (1)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	4.53
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)N)CC3=CSC=N3

DOS

IR

Vibrations