Geometry & MOs

Info

ID:

431534

PubChem CID:

135171622

Reduced:

S2N9O11C44H49 (1)

Stoich.:

A2B9C11D44E49 (1)

Weight, g/mol:

445.140272

ΔHf, kcal/mol:

-347.91

Dipole, Da:

6.5

IP(EA), eV:

 -8.82(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-acetyl-6-diethoxyphosphoryl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)N(C=C3C(=O)C)CC(=O)OC(C)(C)CCS(=O)(=O)NC4=C(C=C5C(=C4)C(=CN5CC(=O)OC(C)(C)C)C(=O)C)NC(=O)C6=CN=CN=C6)NS(=O)(=O)C

DOS

IR

Vibrations