Geometry & MOs

Info

ID:	170088
PubChem CID:	75194921
Reduced:	NF2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	499.167811
ΔH_f, kcal/mol:	-154.3
Dipole, Da:	5.52
IP(EA), eV:	-7.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-[[3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C=CC2=C(C=CC=C2F)F)OC)OC

DOS

IR

Vibrations