Geometry & MOs

Info

ID:	141528
PubChem CID:	52889165
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	454.026932
ΔH_f, kcal/mol:	0.39
Dipole, Da:	5.29
IP(EA), eV:	-8.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)-2-oxoethyl] 1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@@H](C)SC2=NN=C(N2CC=C)C3=C(OC=C3)C

DOS

IR

Vibrations