Geometry & MOs

Info

ID:	309255
PubChem CID:	126541169
Reduced:	FSCl2N2O4C17H17 (1)
Stoich.:	ABC2D2E4F17G17 (1)
Weight, g/mol:	512.170511
ΔH_f, kcal/mol:	-176.9
Dipole, Da:	1.54
IP(EA), eV:	-9.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-N-phenylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=C1)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)CCCCl

DOS

IR

Vibrations