Geometry & MOs

Info

ID:	296970
PubChem CID:	117603386
Reduced:	ISN4O8C17H21 (1)
Stoich.:	ABC4D8E17F21 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-272.22
Dipole, Da:	2.27
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[6-(3-methoxypyridin-4-yl)-8-methylquinazolin-4-yl]piperidin-4-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N(C(=O)N(CC(=O)O)C(=O)C(CS)NC(=O)CCC(C(=O)O)N)O)I

DOS

IR

Vibrations