Geometry & MOs

Info

ID:	414314
PubChem CID:	135087270
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	4.94
IP(EA), eV:	-9.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,5S,6R,7R)-6-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-N,N-dimethylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations