Geometry & MOs

Info

ID:

315541

PubChem CID:

126627526

Reduced:

O2N5C23H27 (1)

Stoich.:

A2B5C23D27 (1)

Weight, g/mol:

530.212947

ΔHf, kcal/mol:

-25.48

Dipole, Da:

6.41

IP(EA), eV:

 -8.14(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[(Z)-3-amino-2-[(4-fluorophenyl)methyl]prop-2-enylidene]amino]-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=C=NC2=CC(=C(C=C2)C)NC(=O)N3CCCCCC3=O)NC

DOS

IR

Vibrations