Geometry & MOs

Info

ID:	434804
PubChem CID:	135175738
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	295.194757
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	2.37
IP(EA), eV:	-9.08(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pentan-3-one

Drug info:

PubChemData

Smile

CCC(=O)CC1=CC(=CC=C1)OC2CC(C2)NC(C)S

DOS

IR

Vibrations