Geometry & MOs

Info

ID:	193032
PubChem CID:	78337568
Reduced:	SN3O6C19H23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	398.192961
ΔH_f, kcal/mol:	-192.35
Dipole, Da:	9.08
IP(EA), eV:	-9.89(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations