Geometry & MOs

Info

ID:	306186
PubChem CID:	125002239
Reduced:	FO2S2N4C21H23 (1)
Stoich.:	AB2C2D4E21F23 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	5.95
IP(EA), eV:	-8.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)NC4=NC(=CS4)C

DOS

IR

Vibrations