Geometry & MOs

Info

ID:	417932
PubChem CID:	135103087
Reduced:	SO5N7C35H47 (1)
Stoich.:	AB5C7D35E47 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-149.19
Dipole, Da:	10.28
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(5-ethylpyridin-2-yl)methyl-methylamino]propanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)CC2=C(NN=C2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

DOS

IR

Vibrations