Geometry & MOs

Info

ID:	399222
PubChem CID:	135038855
Reduced:	SN2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	338.04369
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	3.13
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-bromo-[(2Z)-2-(1-chloropentylidene)cyclopentylidene]methyl]benzene

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=C(C(=O)N1C)SC=C2

DOS

IR

Vibrations