Geometry & MOs

Info

ID:	237409
PubChem CID:	92719093
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	463.190734
ΔH_f, kcal/mol:	-126.58
Dipole, Da:	11.24
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CS3

DOS

IR

Vibrations