Geometry & MOs

Info

ID:	40978
PubChem CID:	8145053
Reduced:	SO2N3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	374.085577
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809070
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3N(C2=S)C(C)C

DOS

IR

Vibrations