Geometry & MOs

Info

ID:	156098
PubChem CID:	56369123
Reduced:	BrSO3N4C18H25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	396.16314
ΔH_f, kcal/mol:	-79.65
Dipole, Da:	2.78
IP(EA), eV:	-9.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=NNC(=C1)C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations