Geometry & MOs

Info

ID:	142057
PubChem CID:	52974804
Reduced:	ClSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	8.26
Dipole, Da:	3.15
IP(EA), eV:	-8.68(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-anilino-1-oxopropan-2-yl) 3-(4-methoxyphenyl)pyrazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N=C1N=C2C=CC(=CC2S1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations