Geometry & MOs

Info

ID:	19280
PubChem CID:	559820
Reduced:	ClOSN4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	322.06551
ΔH_f, kcal/mol:	47.07
Dipole, Da:	6.4
IP(EA), eV:	-9.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[C-(4-chlorophenyl)-N-(cyanomethyl)carbonimidoyl]morpholine-4-carboximidothioic acid

Drug info:

PubChemData

Smile

C1COCCN1C(=NC(=NCC#N)C2=CC=C(C=C2)Cl)S

DOS

IR

Vibrations