Geometry & MOs

Info

ID:	383409
PubChem CID:	134975115
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	445.151214
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	3.1
IP(EA), eV:	-8.45(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-(6-chloropyridin-3-yl)-10-ethoxycarbothioylsulfanyldodecanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]2CC(C1)CN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations