Geometry & MOs

Info

ID:	70928
PubChem CID:	48414059
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	368.13184
ΔH_f, kcal/mol:	-121.92
Dipole, Da:	7.02
IP(EA), eV:	-9.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations