Geometry & MOs

Info

ID:	312565
PubChem CID:	126606533
Reduced:	SN3O4C14H27 (1)
Stoich.:	AB3C4D14E27 (1)
Weight, g/mol:	431.151288
ΔH_f, kcal/mol:	-190.76
Dipole, Da:	6.2
IP(EA), eV:	-8.65(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCNC(=S)N[C@H]1COC([C@H](C1O)O)CNC2CCOCC2

DOS

IR

Vibrations