Geometry & MOs

Info

ID:	299668
PubChem CID:	117688439
Reduced:	FO2N4C7H11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	513.202362
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	4.73
IP(EA), eV:	-10.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]-3-hydroxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](C[C@@H]1N=[N+]=[N-])F)NC(=O)O

DOS

IR

Vibrations