Geometry & MOs

Info

ID:	244841
PubChem CID:	99431441
Reduced:	F3N3O3H16C19 (1)
Stoich.:	A3B3C3D16E19 (1)
Weight, g/mol:	368.14601
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	3.68
IP(EA), eV:	-9.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrimidin-2-ylamino)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)C2=NOC(=C2)C3=CN=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations