Geometry & MOs

Info

ID:	449946
PubChem CID:	135302753
Reduced:	F3N9O9C42H50 (1)
Stoich.:	A3B9C9D42E50 (1)
Weight, g/mol:	320.02235
ΔH_f, kcal/mol:	-465.67
Dipole, Da:	8.4
IP(EA), eV:	-9.75(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-tricyclo[5.2.1.03,9]dec-3-enyl) 2-bromo-2,2-difluoroacetate

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)NCCOC1(CCCC1)OCCNC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(CC4=CN=C5C(=N4)C(=O)N=C(N5)NC(=O)C(C)C)C(=O)C(F)(F)F

DOS

IR

Vibrations