Geometry & MOs

Info

ID:	66258
PubChem CID:	46501205
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	418.148177
ΔH_f, kcal/mol:	9.43
Dipole, Da:	5.62
IP(EA), eV:	-9.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-heptoxyphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CN=CC=C1)/CC(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations