Geometry & MOs

Info

ID:	123100
PubChem CID:	50833096
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	455.199111
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	3.42
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)CCC(=O)NCC4=CC=CC=C4)C

DOS

IR

Vibrations