Geometry & MOs

Info

ID:	189089
PubChem CID:	77816276
Reduced:	FSO2N4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	435.143962
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	2.65
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl]cyclopropanesulfonamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)N)NC(=O)C1=CC=CC(=C1)C=C(CC2=NC=CN2)C3=CC=C(C=C3)F

DOS

IR

Vibrations