Geometry & MOs

Info

ID:	242805
PubChem CID:	99206416
Reduced:	BrFO3N4C21H22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	361.128255
ΔH_f, kcal/mol:	-122.58
Dipole, Da:	2.54
IP(EA), eV:	-9.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R)-dithiolan-3-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=C(C=C2)Br)C(=O)CCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations