Geometry & MOs

Info

ID:	349234
PubChem CID:	127274960
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-71.12
Dipole, Da:	2.68
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations