Geometry & MOs

Info

ID:

448482

PubChem CID:

135291296

Reduced:

N11O12C67H115 (1)

Stoich.:

A11B12C67D115 (1)

Weight, g/mol:

755.497233

ΔHf, kcal/mol:

-642.17

Dipole, Da:

12.97

IP(EA), eV:

 -9.15(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(18E,22E)-1,14,20-trihydroxy-12-[(2E,4E)-5-(4-hydroxy-5-methoxycyclohex-2-en-1-yl)-4-methylpenta-2,4-dien-2-yl]-17,25,27,29-tetramethyl-11,30-dioxa-4-azatricyclo[24.3.1.04,9]triaconta-18,22-diene-3,10-dione

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)C([C@H]([C@H](C)C/C=C/C)O)C(=O)N[C@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)C(C)C

DOS

IR

Vibrations