Geometry & MOs

Info

ID:	411393
PubChem CID:	135084216
Reduced:	NOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	285.031578
ΔH_f, kcal/mol:	12.2
Dipole, Da:	3.78
IP(EA), eV:	-8.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-2-(1,3-dithian-2-yl)-1-thiophen-2-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

C=CC1CC(=O)N1C2=CC=CC=C2

DOS

IR

Vibrations