Geometry & MOs

Info

ID:	447782
PubChem CID:	135285716
Reduced:	FSN3O4C27H36 (1)
Stoich.:	ABC3D4E27F36 (1)
Weight, g/mol:	365.96852
ΔH_f, kcal/mol:	-197.65
Dipole, Da:	4.87
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-1-(4-bromophenyl)sulfonyl-4-fluoropyrrolidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C2=C(N1C(=O)O)C=C(C=C2)F)C3=CC(=C(C=C3)S(=O)(=O)NC(C)(C)C)CCN(C)C

DOS

IR

Vibrations