Geometry & MOs

Info

ID:

409156

PubChem CID:

135081935

Reduced:

O10N15C50H79 (1)

Stoich.:

A10B15C50D79 (1)

Weight, g/mol:

200.141244

ΔHf, kcal/mol:

-482.19

Dipole, Da:

6.05

IP(EA), eV:

 -8.74(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-[(2R,3S)-3-methyloxiran-2-yl]ethyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

CCC[C@@H](CNC(=O)N[C@@H](CC1=CC=C(C=C1)O)CNC(=O)N)NC(=O)NC[C@H](C)NC(=O)NC[C@H](CC2=CC=C(C=C2)O)NC(=O)NC[C@H](CCC)NC(=O)NC[C@H](C)NC(=O)NC[C@H](CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations