Geometry & MOs

Info

ID:

214762

PubChem CID:

85083600

Reduced:

SiN5O7C30H37 (1)

Stoich.:

AB5C7D30E37 (1)

Weight, g/mol:

602.223729

ΔHf, kcal/mol:

-255.4

Dipole, Da:

3.74

IP(EA), eV:

 -9.15(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxopurin-3-ium-8-yl]methyl]phenyl]-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C4C(C(O3)N5C6C(C(=O)NC(N6)N)N(C5=O)CC=C)OC(=O)O4

DOS

IR

Vibrations