Geometry & MOs

Info

ID:

15386

PubChem CID:

440209

Reduced:

PN13O15C59H92 (1)

Stoich.:

AB13C15D59E92 (1)

Weight, g/mol:

1253.657346

ΔHf, kcal/mol:

-715.55

Dipole, Da:

6.59

IP(EA), eV:

 -8.18(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-4-hydroxy-5-(6-hydroxy-2,3-dihydrobenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[3,7,12,13-tetrakis(2-amino-2-oxoethyl)-8,18-bis(3-amino-3-oxopropyl)-2,7,10,12,17,17,20-heptamethyl-1,3,4,5,6,8,11,13,16,18,21,22,23,24-tetradecahydroporphyrin-2-yl]propanoylamino]propan-2-yl hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=C2C(C(C(N2)C=C3C(C(C(N3)C(=C4C(C(C(N4)CC5C(C(C1N5)(C)CCC(=O)NCC(C)OP(=O)(O)O[C@@H]6[C@H](O[C@@H]([C@@H]6O)N7CNC8=C7C=C(C=C8)O)CO)CC(=O)N)(C)CC(=O)N)CCC(=O)N)C)(C)CC(=O)N)CC(=O)N)(C)C)CCC(=O)N

DOS

IR

Vibrations