Geometry & MOs

Info

ID:	61987
PubChem CID:	26716603
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-202.33
Dipole, Da:	6.2
IP(EA), eV:	-9.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

DOS

IR

Vibrations