Geometry & MOs

Info

ID:	243184
PubChem CID:	99216635
Reduced:	SO2F3N5H16C20 (1)
Stoich.:	AB2C3D5E16F20 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-126.53
Dipole, Da:	5.06
IP(EA), eV:	-8.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[[[4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCNC(=O)CC3=CSC(=N3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations