Geometry & MOs

Info

ID:	157543
PubChem CID:	56435642
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	403.238353
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	4.3
IP(EA), eV:	-8.97(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)C(C)(C)C

DOS

IR

Vibrations