Geometry & MOs

Info

ID:	406472
PubChem CID:	135077686
Reduced:	CrNO4H17C24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	256.043712
ΔH_f, kcal/mol:	-12.89
Dipole, Da:	4.69
IP(EA), eV:	-7.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(E)-1-(4-chlorophenyl)ethylideneamino] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1C2=CC=CC=C2C=NC3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations