Geometry & MOs

Info

ID:	418476
PubChem CID:	135105087
Reduced:	SO5N6C31H40 (1)
Stoich.:	AB5C6D31E40 (1)
Weight, g/mol:	315.174691
ΔH_f, kcal/mol:	-172.34
Dipole, Da:	8.06
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)methyl-methylamino]-N-[1-(6-methylpyridin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=C(N=CC=C3)SC)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations