Geometry & MOs

Info

ID:	158414
PubChem CID:	56463595
Reduced:	O3N6H26C27 (1)
Stoich.:	A3B6C26D27 (1)
Weight, g/mol:	455.173959
ΔH_f, kcal/mol:	77.87
Dipole, Da:	5.78
IP(EA), eV:	-9.41(-1.2)
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]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC(=NC4=C3C=NN4CC5=CC=CO5)C6=CC=CC=C6

DOS

IR

Vibrations