Geometry & MOs

Info

ID:	448978
PubChem CID:	135294945
Reduced:	F2C41H66 (1)
Stoich.:	A2B41C66 (1)
Weight, g/mol:	499.200825
ΔH_f, kcal/mol:	-159.98
Dipole, Da:	2.22
IP(EA), eV:	-8.51(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)/C(=C(\C(=C(C)CC)C)/C(=C/C)/C=C(/C)\C(=C)/C(=C\C(C)CC1CCCCC1)/C(=C/CCC(CC)(F)F)/CC)/C

DOS

IR

Vibrations