Geometry & MOs

Info

ID:	44821
PubChem CID:	10506046
Reduced:	BrClSO2N3H19C23 (1)
Stoich.:	ABCD2E3F19G23 (1)
Weight, g/mol:	368.05114
ΔH_f, kcal/mol:	32.61
Dipole, Da:	4.39
IP(EA), eV:	-8.28(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(dimethylcarbamoyl)-3-methylcyclohexa-1,4-dien-1-yl]-phenyliodanium

Drug info:

PubChemData

Smile

CCCCN\1C(=CS/C1=N/N=C/C2=CC=C(C=C2)Cl)C3=CC4=C(C=CC(=C4)Br)OC3=O

DOS

IR

Vibrations