Geometry & MOs

Info

ID:

398743

PubChem CID:

135035166

Reduced:

H4S10O15C42 (1)

Stoich.:

A4B10C15D42 (1)

Weight, g/mol:

486.182254

ΔHf, kcal/mol:

-256.8

Dipole, Da:

6.64

IP(EA), eV:

 -9.64(-3.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxo-1-phenylpyridin-3-yl)-1-pentylpyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=O)OC(=O)C3=C2SC4=C3SC5=C4C(=O)OC(=O)C6=C5SC7=C6SC8=C7C(=O)OC(=O)C9=C8SC1=C9SC2=C1C(=O)OC(=O)C1=C2SC2=C1SC1=C2C(=O)OC(=O)C2=C1SC=C2

DOS

IR

Vibrations