Geometry & MOs

Info

ID:	305842
PubChem CID:	124971427
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	398.185509
ΔH_f, kcal/mol:	-115.02
Dipole, Da:	8.26
IP(EA), eV:	-8.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

C[C@]1(CCCN(C1)S(=O)(=O)C)C(=O)N2CCC[C@H]2C3=NC(=NC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations