Geometry & MOs

Info

ID:	178045
PubChem CID:	76268606
Reduced:	SN4O7C21H28 (1)
Stoich.:	AB4C7D21E28 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-212.76
Dipole, Da:	2.39
IP(EA), eV:	-9.41(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1S(=O)(=O)N3CCOCC3)C(CC(=O)N2)C(=O)NCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations