Geometry & MOs

Info

ID:	137052
PubChem CID:	52144993
Reduced:	OSN6C15H24 (1)
Stoich.:	ABC6D15E24 (1)
Weight, g/mol:	375.147744
ΔH_f, kcal/mol:	15.44
Dipole, Da:	3.13
IP(EA), eV:	-9.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-oxazol-3-yl)-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)NCC

DOS

IR

Vibrations