Geometry & MOs

Info

ID:

317386

PubChem CID:

126636957

Reduced:

N11O12C62H111 (1)

Stoich.:

A11B12C62D111 (1)

Weight, g/mol:

379.126717

ΔHf, kcal/mol:

-428.54

Dipole, Da:

5.03

IP(EA), eV:

 -7.6(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,8Z,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxa-2-azabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-3,7,13-trione

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)NC(C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

DOS

IR

Vibrations