Geometry & MOs

Info

ID:	38725
PubChem CID:	8137823
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	11.55
Dipole, Da:	6.09
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-phenylsulfanylpropanoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations