Geometry & MOs

Info

ID:	196437
PubChem CID:	78826310
Reduced:	OS3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	429.102624
ΔH_f, kcal/mol:	64.63
Dipole, Da:	4.14
IP(EA), eV:	-8.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=CS2)CSC3=NN=C(S3)NCC4CCCO4

DOS

IR

Vibrations