Geometry & MOs

Info

ID:	243579
PubChem CID:	99226943
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	401.094247
ΔH_f, kcal/mol:	-135.52
Dipole, Da:	4.67
IP(EA), eV:	-9.47(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chlorophenyl)methyl-[1-(3-fluorophenyl)pyrazole-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)CNC(=O)C3=CC(=CC(=C3)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations