Geometry & MOs

Info

ID:

379450

PubChem CID:

134419533

Reduced:

O3N5C21H31 (1)

Stoich.:

A3B5C21D31 (1)

Weight, g/mol:

806.432675

ΔHf, kcal/mol:

-109.33

Dipole, Da:

2.12

IP(EA), eV:

 -8.91(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[3-[1-[[3-(3,3-dimethylbutanoyl)-5-[2-[2-(2,4,6-triaminopyrimidin-5-yl)ethoxy]ethyl]phenyl]methoxy]-1-hydroxy-3,3-dimethylbutyl]-5-(hydroxymethyl)phenyl]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)C1=CC(=CC(=C1)CO)CCOCCC2=C(N=C(N=C2N)N)N

DOS

IR

Vibrations