Geometry & MOs

Info

ID:

215716

PubChem CID:

85085137

Reduced:

SO11N16C60H92 (1)

Stoich.:

AB11C16D60E92 (1)

Weight, g/mol:

1248.794661

ΔHf, kcal/mol:

-512.04

Dipole, Da:

10.78

IP(EA), eV:

 -8.85(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 2-[[2-[[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CSC=C2)NC(=O)C(CC3=CC=C(C=C3)OCC)NC(=O)CC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations