Geometry & MOs

Info

ID:	219623
PubChem CID:	85154879
Reduced:	PN2S2O3C25H43 (1)
Stoich.:	AB2C2D3E25F43 (1)
Weight, g/mol:	514.269422
ΔH_f, kcal/mol:	-238.12
Dipole, Da:	6.42
IP(EA), eV:	-9.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(4-tert-butylphenyl)-1,4-diphenylpenta-2,4-diene-1-thione

Drug info:

PubChemData

Smile

CCCCCCCCCP(=S)(OC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC)S

DOS

IR

Vibrations