Geometry & MOs

Info

ID:	156097
PubChem CID:	56369122
Reduced:	OF3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	456.08307
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	6.37
IP(EA), eV:	-9.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C4CC4

DOS

IR

Vibrations