Geometry & MOs

Info

ID:	137004
PubChem CID:	52136332
Reduced:	SO2N7C15H19 (1)
Stoich.:	AB2C7D15E19 (1)
Weight, g/mol:	350.188881
ΔH_f, kcal/mol:	56.3
Dipole, Da:	3.59
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[[4-ethyl-5-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C2=NN=C(N2CC)SCC(=O)NC3=NOC=C3

DOS

IR

Vibrations