Geometry & MOs

Info

ID:	34638
PubChem CID:	7978764
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	393.125547
ΔH_f, kcal/mol:	-72.67
Dipole, Da:	3.51
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCSC4=CC=CC=C4

DOS

IR

Vibrations