Geometry & MOs

Info

ID:

232044

PubChem CID:

87575274

Reduced:

N2C27H60 (1)

Stoich.:

A2B27C60 (1)

Weight, g/mol:

1314.774713

ΔHf, kcal/mol:

-121.02

Dipole, Da:

2.11

IP(EA), eV:

-8.65(2.85)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R)-2-amino-3-[1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCN.CCCCCCCCCCCCN(C)C

DOS

IR

Vibrations