Geometry & MOs

Info

ID:	32473
PubChem CID:	7837722
Reduced:	SN2F3O4H13C16 (1)
Stoich.:	AB2C3D4E13F16 (1)
Weight, g/mol:	341.0182
ΔH_f, kcal/mol:	-255.63
Dipole, Da:	7.67
IP(EA), eV:	-9.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-bromo-2-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)OCC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations