Geometry & MOs

Info

ID:	245359
PubChem CID:	99443845
Reduced:	BrFOSN5H17C22 (1)
Stoich.:	ABCDE5F17G22 (1)
Weight, g/mol:	368.190006
ΔH_f, kcal/mol:	54.44
Dipole, Da:	7.34
IP(EA), eV:	-9.11(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-N-cyclopropyl-N-[(1S)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=C(C=CC(=C3)Br)F)C4=CN=CC=C4

DOS

IR

Vibrations