Geometry & MOs

Info

ID:	130012
PubChem CID:	51074597
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	344.094312
ΔH_f, kcal/mol:	-107.0
Dipole, Da:	2.96
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCC(CC2)OC

DOS

IR

Vibrations