Geometry & MOs

Info

ID:	59415
PubChem CID:	24857356
Reduced:	SO3N6C26H30 (1)
Stoich.:	AB3C6D26E30 (1)
Weight, g/mol:	302.08777
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	3.62
IP(EA), eV:	-8.71(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(N-phenylanilino)phenyl] thiocyanate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(N3C2=NC=C3)C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations