Geometry & MOs

Info

ID:	130273
PubChem CID:	51075470
Reduced:	SN2O5C12H24 (1)
Stoich.:	AB2C5D12E24 (1)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	-230.69
Dipole, Da:	3.05
IP(EA), eV:	-9.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-phenylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N(C)CCCC(=O)OC

DOS

IR

Vibrations