Geometry & MOs

Info

ID:	77390
PubChem CID:	48428041
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	382.095575
ΔH_f, kcal/mol:	-30.8
Dipole, Da:	2.87
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)COC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CS3

DOS

IR

Vibrations