Geometry & MOs

Info

ID:	63523
PubChem CID:	26758549
Reduced:	BrN2S2O3C18H21 (1)
Stoich.:	AB2C2D3E18F21 (1)
Weight, g/mol:	388.179835
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	7.4
IP(EA), eV:	-9.05(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC=C(S2)Br

DOS

IR

Vibrations