Geometry & MOs

Info

ID:

302661

PubChem CID:

124391762

Reduced:

O4N5H23C26 (1)

Stoich.:

A4B5C23D26 (1)

Weight, g/mol:

520.166808

ΔHf, kcal/mol:

25.03

Dipole, Da:

3.12

IP(EA), eV:

 -8.44(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(E)-[(5S)-6-ethoxycarbonyl-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)/C=N/NC(=O)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations