Geometry & MOs

Info

ID:	137051
PubChem CID:	52144992
Reduced:	OSN6C16H26 (1)
Stoich.:	ABC6D16E26 (1)
Weight, g/mol:	336.173231
ΔH_f, kcal/mol:	6.9
Dipole, Da:	2.25
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C2=NN=C(N2C(C)C)SCC(=O)NC(C)C

DOS

IR

Vibrations