Geometry & MOs

Info

ID:	433946
PubChem CID:	135174093
Reduced:	BrClON2C18H20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	562.251481
ΔH_f, kcal/mol:	17.8
Dipole, Da:	2.78
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[8-[2-methyl-3-[2-methyl-3-(5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=CC=C2OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations