Geometry & MOs

Info

ID:	401312
PubChem CID:	135050886
Reduced:	Cr2O9H10C16 (1)
Stoich.:	A2B9C10D16 (1)
Weight, g/mol:	357.060569
ΔH_f, kcal/mol:	-179.65
Dipole, Da:	1.03
IP(EA), eV:	-7.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-2-cyano-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enethioamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations