Geometry & MOs

Info

ID:	214418
PubChem CID:	84982009
Reduced:	O2F3N3C21H26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-231.77
Dipole, Da:	3.25
IP(EA), eV:	-8.92(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CN3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations