Geometry & MOs

Info

ID:	158542
PubChem CID:	56464153
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	6.48
IP(EA), eV:	-9.34(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations