Geometry & MOs

Info

ID:	442391
PubChem CID:	135251789
Reduced:	N3C27H35 (1)
Stoich.:	A3B27C35 (1)
Weight, g/mol:	563.115218
ΔH_f, kcal/mol:	117.77
Dipole, Da:	2.57
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[[1-(3-ethoxycyclobutyl)-3-(6-fluoropyridin-2-yl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

CCC1=C(C(C(=CC1C)N(C=N)C2=N[C@]3(CC3(C4=CC=CC=C42)CC)C=CC)C)C

DOS

IR

Vibrations