Geometry & MOs

Info

ID:	39434
PubChem CID:	8140785
Reduced:	N4O6H18C19 (1)
Stoich.:	A4B6C18D19 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	4.03
IP(EA), eV:	-9.29(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NN1C(=O)[C@@](NC1=O)(C)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

DOS

IR

Vibrations