Geometry & MOs

Info

ID:

59419

PubChem CID:

24858300

Reduced:

BrO7C17H23 (1)

Stoich.:

AB7C17D23 (1)

Weight, g/mol:

869.327893

ΔHf, kcal/mol:

-308.81

Dipole, Da:

2.66

IP(EA), eV:

 -9.53(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,7S,10R,13S,16S,19R)-10-benzyl-13-[3-(diaminomethylideneamino)propyl]-5-hydroxy-16-(1H-indol-3-ylmethyl)-25-nitro-2,8,11,14,17-pentaoxo-21-thia-3,9,12,15,18-pentazatricyclo[20.4.0.03,7]hexacosa-1(22),23,25-triene-19-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC1=C(C(=C(C=C1)CO)OC(=O)OC(C)(C)C)Br

DOS

IR

Vibrations