Geometry & MOs

Info

ID:	135654
PubChem CID:	51910347
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	421.23116
ΔH_f, kcal/mol:	-4.7
Dipole, Da:	7.06
IP(EA), eV:	-9.04(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=NC=NC(=C23)OCC(=O)N[C@@](C)(C#N)C4CC4

DOS

IR

Vibrations