Geometry & MOs

Info

ID:	378466
PubChem CID:	134224548
Reduced:	ClOSN3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	25.13
Dipole, Da:	5.53
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]-4-(phenoxymethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SNC2=NC=NC=C2)Cl)O

DOS

IR

Vibrations