Geometry & MOs

Info

ID:	401525
PubChem CID:	135051512
Reduced:	O3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	314.091141
ΔH_f, kcal/mol:	-222.68
Dipole, Da:	5.0
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N,N'-diphenylpropanedithioamide

Drug info:

PubChemData

Smile

CCC(=O)C1=C(OC2=C(C(=CC(=C12)OC)OC)C)C(C)C(=O)OC

DOS

IR

Vibrations