Geometry & MOs

Info

ID:	134548
PubChem CID:	51712552
Reduced:	SO2N4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	466.215095
ΔH_f, kcal/mol:	-22.7
Dipole, Da:	5.82
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC(C)C)S[C@H](C)C(=O)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations