Geometry & MOs

Info

ID:	448984
PubChem CID:	135294984
Reduced:	OF2N2C27H28 (1)
Stoich.:	AB2C2D27E28 (1)
Weight, g/mol:	513.216475
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	5.51
IP(EA), eV:	-8.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(R)-phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzenecarboximidate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN(C3=C2C=CC(=C3)C4=C(ON=C4C)C)CC5CCC(CC5)(F)F

DOS

IR

Vibrations