Geometry & MOs

Info

ID:	129724
PubChem CID:	51073644
Reduced:	SN3O4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-138.81
Dipole, Da:	8.3
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azocan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CC2=C(C(=C(N2)C(=O)C)C)C(=O)OC

DOS

IR

Vibrations