Geometry & MOs

Info

ID:	399162
PubChem CID:	135038378
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	186.017307
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	2.8
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dien-1-ol

Drug info:

PubChemData

Smile

COC1=C[C@@H](C(C1=O)COCC2=CC=CC=C2)O

DOS

IR

Vibrations