Geometry & MOs

Info

ID:	447293
PubChem CID:	135281793
Reduced:	FO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	389.193712
ΔH_f, kcal/mol:	-52.38
Dipole, Da:	4.47
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[(1S)-1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C1CC1[C@@](CCC2=CC(=C(C=C2)F)NC(=O)[C@H]3C[C@H](CN3)O)(C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations