Geometry & MOs

Info

ID:	156526
PubChem CID:	56371008
Reduced:	SO2N6C20H30 (1)
Stoich.:	AB2C6D20E30 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	23.52
Dipole, Da:	3.63
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(N2CC3CCCO3)SC(C)C4=NC(=NO4)C5CC5

DOS

IR

Vibrations