Geometry & MOs

Info

ID:	431299
PubChem CID:	135171370
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	530.17879
ΔH_f, kcal/mol:	54.23
Dipole, Da:	5.76
IP(EA), eV:	-8.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[2-fluoro-3-[3-[(5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-4-propyl-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OC2CCN(CC2)C3=NN=C(C=C3C)C4=NOC(=N4)C

DOS

IR

Vibrations