Geometry & MOs

Info

ID:	227275
PubChem CID:	87560998
Reduced:	N3O12C33H35 (1)
Stoich.:	A3B12C33D35 (1)
Weight, g/mol:	483.099316
ΔH_f, kcal/mol:	-428.44
Dipole, Da:	7.49
IP(EA), eV:	-9.63(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyano-N-[2,6-dimethyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CC(CC(=O)NCCNC(=O)C3=CC=C(C=C3)C(=O)ON4C(=O)CCC4=O)C(=O)O)O

DOS

IR

Vibrations