Geometry & MOs

Info

ID:

328048

PubChem CID:

126691855

Reduced:

N4O7C34H48 (2)

Stoich.:

A4B7C34D48 (2)

Weight, g/mol:

1010.630372

ΔHf, kcal/mol:

-277.65

Dipole, Da:

7.88

IP(EA), eV:

 -8.34(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-carbamimidoyl-1-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28Z,30R,32S,35R)-1,18-dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-30-yl]-3,3-dimethylguanidine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)C3CCCCN3C(=O)C(=O)[C@@]1(O2)O)C(C)C[C@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OCCCNC5=NC6=C(O5)C=CC(=C6)C7=NN(C8=NC=NC(=C78)N)C(C)C

DOS

IR

Vibrations