Geometry & MOs

Info

ID:	448613
PubChem CID:	135292236
Reduced:	SO4N5C27H37 (1)
Stoich.:	AB4C5D27E37 (1)
Weight, g/mol:	469.237685
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	8.29
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-cyclopropyl-2-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-5-(4-fluorophenyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1C2=CC=CC(=C2)CNS(=O)(=O)C)C3CC3)N(CCCCOC)CC(C)NC=O)C#N

DOS

IR

Vibrations