Geometry & MOs

Info

ID:	422999
PubChem CID:	135118747
Reduced:	SO5N9C34H43 (1)
Stoich.:	AB5C9D34E43 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-101.33
Dipole, Da:	4.0
IP(EA), eV:	-9.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=NN2CC(=O)N1)C)CC3=CC=CC=C3)S(=O)(=O)C4=C(N(N=C4C)C5=CC=CC=C5)C)C(C)C

DOS

IR

Vibrations