Geometry & MOs

Info

ID:	121770
PubChem CID:	50781073
Reduced:	ClSO2N4C25H29 (1)
Stoich.:	ABC2D4E25F29 (1)
Weight, g/mol:	474.274324
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	4.45
IP(EA), eV:	-8.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C(C1=O)SCC(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations