Geometry & MOs

Info

ID:	349230
PubChem CID:	127274956
Reduced:	OS2N7C14H21 (1)
Stoich.:	AB2C7D14E21 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	72.56
Dipole, Da:	7.85
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations