Geometry & MOs

Info

ID:

223741

PubChem CID:

85335509

Reduced:

O4N9C25H35 (1)

Stoich.:

A4B9C25D35 (1)

Weight, g/mol:

526.227493

ΔHf, kcal/mol:

-95.99

Dipole, Da:

10.75

IP(EA), eV:

 -9.05(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-1-[[3-hydroxy-1-[[3-hydroxy-1-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1CCC2=C3C(=CC=C2)CC(N3C1=O)C(=O)NCC4=NNN=N4)NC(=O)CN(C)C

DOS

IR

Vibrations