Geometry & MOs

Info

ID:

392572

PubChem CID:

135017243

Reduced:

NS2O4C14H23 (3)

Stoich.:

AB2C4D14E23 (3)

Weight, g/mol:

305.112404

ΔHf, kcal/mol:

-626.31

Dipole, Da:

7.5

IP(EA), eV:

 -8.79(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,8R)-11-amino-5,5-dimethyl-4,6,18-trioxa-1,10,12,15-tetrazapentacyclo[8.6.1.12,8.03,7.014,17]octadeca-11,14(17),15-trien-13-one

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1CSSC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)CC)CSSC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)CC)CSSC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations