Geometry & MOs

Info

ID:

190512

PubChem CID:

78014196

Reduced:

PN3O4C11H24 (1)

Stoich.:

AB3C4D11E24 (1)

Weight, g/mol:

547.202004

ΔHf, kcal/mol:

-239.89

Dipole, Da:

6.37

IP(EA), eV:

 -9.06(0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-chloro-3a,7a-dihydro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-(1-hydroxy-2-methylpropan-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NP(=O)(CCN1CCNCC1)O

DOS

IR

Vibrations