Geometry & MOs

Info

ID:	340233
PubChem CID:	127262242
Reduced:	FSN2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	-2.75
Dipole, Da:	1.78
IP(EA), eV:	-8.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(4-nitrobenzoyl)-N-phenylcarbamimidothioate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)F)C(=N)SC

DOS

IR

Vibrations