Geometry & MOs

Info

ID:	48628
PubChem CID:	11110140
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	324.031243
ΔH_f, kcal/mol:	16.39
Dipole, Da:	6.77
IP(EA), eV:	-9.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dithian-2-yl)-1-(furan-2-yl)-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(CC(=[N+]=[N-])C1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C

DOS

IR

Vibrations