Geometry & MOs

Info

ID:	164805
PubChem CID:	74456325
Reduced:	BrN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	483.081517
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	6.11
IP(EA), eV:	-9.42(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[6-(5-chlorothiophen-2-yl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]oxymethanolate

Drug info:

PubChemData

Smile

CCNC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations