Geometry & MOs

Info

ID:

443483

PubChem CID:

135259168

Reduced:

O3F5N5H22C24 (1)

Stoich.:

A3B5C5D22E24 (1)

Weight, g/mol:

509.185016

ΔHf, kcal/mol:

-328.04

Dipole, Da:

2.12

IP(EA), eV:

 -8.93(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-amino-4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-3-methyl-5-[(5-methylquinazolin-4-yl)amino]-6-oxopyridine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=CN=C2NC3=CC(=C4C(=O)NC5(N4C3=O)CCC(CC5)(C(C(F)(F)F)(F)F)O)C

DOS

IR

Vibrations