Geometry & MOs

Info

ID:	325920
PubChem CID:	126685559
Reduced:	N3O7C14H25 (1)
Stoich.:	A3B7C14D25 (1)
Weight, g/mol:	246.053693
ΔH_f, kcal/mol:	-328.11
Dipole, Da:	7.63
IP(EA), eV:	-8.96(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1Z)-buta-1,3-dienyl]-2,6-dimethyl-1,4-benzodithiine

Drug info:

PubChemData

Smile

C[C@](CCCCNC)(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations