Geometry & MOs

Info

ID:	297452
PubChem CID:	117618204
Reduced:	ClFO3N6C21H22 (1)
Stoich.:	ABC3D6E21F22 (1)
Weight, g/mol:	516.192131
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	6.0
IP(EA), eV:	-8.75(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)NC1=CN2C=C(N=C2N=C1)C3=C(C=CC(=C3)NC(=O)N4CCC(C4)F)Cl

DOS

IR

Vibrations