Geometry & MOs

Info

ID:	299661
PubChem CID:	117688356
Reduced:	FNO3C7H12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	523.279469
ΔH_f, kcal/mol:	-203.17
Dipole, Da:	3.41
IP(EA), eV:	-10.47(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-4-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations