Geometry & MOs

Info

ID:

316108

PubChem CID:

126630087

Reduced:

N4O5C17H30 (1)

Stoich.:

A4B5C17D30 (1)

Weight, g/mol:

529.290034

ΔHf, kcal/mol:

-234.84

Dipole, Da:

8.36

IP(EA), eV:

 -9.52(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[3-[3-(1-methoxyethylamino)-2,2-dimethyl-3-oxopropoxy]isoquinolin-6-yl]ethyl] (3S)-1-[(2S)-2-aminopropanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](N1)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C(C)C

DOS

IR

Vibrations