Geometry & MOs

Info

ID:	398821
PubChem CID:	135035601
Reduced:	N2S2O5C25H28 (1)
Stoich.:	A2B2C5D25E28 (1)
Weight, g/mol:	555.08676
ΔH_f, kcal/mol:	-180.27
Dipole, Da:	3.7
IP(EA), eV:	-8.85(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,1S,2R,3S)-3-(benzenecarbonothioylamino)-2-bromo-1,5-diphenylpent-4-enyl] benzoate

Drug info:

PubChemData

Smile

C1C(CSS1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations