Geometry & MOs

Info

ID:	193087
PubChem CID:	78340428
Reduced:	SN3O6C28H35 (1)
Stoich.:	AB3C6D28E35 (1)
Weight, g/mol:	447.284555
ΔH_f, kcal/mol:	-197.97
Dipole, Da:	6.96
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-ethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl)acetyl]-4-piperidin-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2CNC3CCC(CC3C2=O)S(=O)(=O)N4CCC5=CC=CC=C54)OC

DOS

IR

Vibrations