Geometry & MOs

Info

ID:	245364
PubChem CID:	99443890
Reduced:	FSN2O4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	367.00418
ΔH_f, kcal/mol:	-150.79
Dipole, Da:	4.95
IP(EA), eV:	-9.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N(C3CC3)[C@H](C)C4=CC=CC=C4F

DOS

IR

Vibrations