Geometry & MOs

Info

ID:	67414
PubChem CID:	46506428
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	6.31
IP(EA), eV:	-8.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioyl)amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations