Geometry & MOs

Info

ID:	136995
PubChem CID:	52135278
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	389.163394
ΔH_f, kcal/mol:	-30.51
Dipole, Da:	8.51
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)SC1=NN=C(N1C)CCC2=C(N(N=C2)C)C

DOS

IR

Vibrations