Geometry & MOs

Info

ID:	33228
PubChem CID:	7885511
Reduced:	ClSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	4.6
IP(EA), eV:	-8.96(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations