Geometry & MOs

Info

ID:	160032
PubChem CID:	57304406
Reduced:	FNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	514.232853
ΔH_f, kcal/mol:	-118.93
Dipole, Da:	6.6
IP(EA), eV:	-9.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-acetamido-4-[4-[ethyl(2-hydroxyethyl)amino]anilino]-5-oxo-1-phenylpyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=C2CCOC2)C3=CC=C(C=C3)S(=O)(=O)N)F

DOS

IR

Vibrations