Geometry & MOs

Info

ID:	157546
PubChem CID:	56435648
Reduced:	O3N4C25H36 (1)
Stoich.:	A3B4C25D36 (1)
Weight, g/mol:	452.191583
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	5.74
IP(EA), eV:	-8.96(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations