Geometry & MOs

Info

ID:	317094
PubChem CID:	126632469
Reduced:	IC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	569.321334
ΔH_f, kcal/mol:	-11.02
Dipole, Da:	2.55
IP(EA), eV:	-9.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[3-[2,2-dimethyl-3-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-3-oxopropoxy]isoquinolin-6-yl]ethyl] (3S)-1-propanoyldiazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC(CC1CC2CCC1C2)I

DOS

IR

Vibrations