Geometry & MOs

Info

ID:

309170

PubChem CID:

126539446

Reduced:

N3O8C25H43 (1)

Stoich.:

A3B8C25D43 (1)

Weight, g/mol:

830.478957

ΔHf, kcal/mol:

-307.28

Dipole, Da:

5.03

IP(EA), eV:

 -9.25(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[2-[2-[2-[[2-[2-[(4S,7S)-7-[(2-aminoacetyl)amino]-2-methyl-5,6-dioxo-8-phenyloctan-4-yl]hydrazinyl]acetyl]amino]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2C(C(CC[C@]23CO3)OC(=O)NCCOCCOCCNC(=O)CN)OC)C

DOS

IR

Vibrations