Geometry & MOs

Info

ID:	349020
PubChem CID:	127274746
Reduced:	NSO4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-165.08
Dipole, Da:	2.8
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NC(=O)CSCC3CCCCO3)C

DOS

IR

Vibrations