Geometry & MOs

Info

ID:	299658
PubChem CID:	117688347
Reduced:	FN2O2C7H13 (1)
Stoich.:	AB2C2D7E13 (1)
Weight, g/mol:	541.233662
ΔH_f, kcal/mol:	-157.44
Dipole, Da:	4.89
IP(EA), eV:	-9.76(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-N-[(3S,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-6-methylpyrrolo[3,2-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations