Geometry & MOs

Info

ID:	308503
PubChem CID:	125333277
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	424.123007
ΔH_f, kcal/mol:	-150.27
Dipole, Da:	6.7
IP(EA), eV:	-9.55(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methylpyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@@H]2CCC3=C(C2)CC(=O)N=N3

DOS

IR

Vibrations