Geometry & MOs

Info

ID:	48086
PubChem CID:	10537061
Reduced:	N3H13C14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	92.61
Dipole, Da:	5.87
IP(EA), eV:	-9.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylimino-oxo-[(Z)-pent-2-enyl]-phenyl-lambda6-sulfane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(C#N)C2=CC=CC=N2

DOS

IR

Vibrations