Geometry & MOs

Info

ID:	447121
PubChem CID:	135280443
Reduced:	FON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	460.187733
ΔH_f, kcal/mol:	45.2
Dipole, Da:	2.52
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloropyrimidin-4-yl)-3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=CC4=C(C=C3)N(C=C4F)C5CN(C5)C(=O)C=C

DOS

IR

Vibrations