Geometry & MOs

Info

ID:

127703

PubChem CID:

51012575

Reduced:

NSC15H21 (1)

Stoich.:

ABC15D21 (1)

Weight, g/mol:

1555.548791

ΔHf, kcal/mol:

21.74

Dipole, Da:

1.76

IP(EA), eV:

-8.85(-0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(4R)-4-(naphthalene-2-carbonylamino)-5-oxo-5-[[(1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36S,37S,38S,39S,40S,41S,42S,43S,44S,45R,46S,47S,48S,49S)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylamino]pentyl]naphthalene-2-carboxamide

Drug info:

PubChemData

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C1C[C@@H]2[C@H](C1)[C@@H]3C[C@H]2C[C@H]3NCC4=CSC=C4

DOS

IR

Vibrations