Geometry & MOs

Info

ID:

164656

PubChem CID:

74433153

Reduced:

O2N7C23H29 (1)

Stoich.:

A2B7C23D29 (1)

Weight, g/mol:

1006.34122

ΔHf, kcal/mol:

-4.41

Dipole, Da:

5.29

IP(EA), eV:

 -8.4(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[2-[[6-[[1-amino-3-(ethyldisulfanyl)-1-oxopropan-2-yl]amino]-5-[[2-[2-[[2-[2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]ethoxy]ethoxycarbonylamino]methoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]carbamate

Drug info:

PubChemData

Smile

CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC=CC(=C3)C4=CC=CC=N4.O

DOS

IR

Vibrations