Geometry & MOs

Info

ID:	56605
PubChem CID:	17487175
Reduced:	OSCl2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	460.144823
ΔH_f, kcal/mol:	25.42
Dipole, Da:	6.96
IP(EA), eV:	-9.09(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)CC2=CSC(=N2)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations