Geometry & MOs

Info

ID:	158435
PubChem CID:	56463640
Reduced:	ClO2N5C20H28 (1)
Stoich.:	AB2C5D20E28 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	4.28
Dipole, Da:	5.06
IP(EA), eV:	-9.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)Cl

DOS

IR

Vibrations