Geometry & MOs

Info

ID:	386838
PubChem CID:	134983095
Reduced:	ClNO3H24C25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	5.05
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]sulfanyl-2-nitrobenzene

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC=O)C1=C(C=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations