Geometry & MOs

Info

ID:	378361
PubChem CID:	134224440
Reduced:	O5N9C29H41 (1)
Stoich.:	A5B9C29D41 (1)
Weight, g/mol:	540.094725
ΔH_f, kcal/mol:	-186.46
Dipole, Da:	10.8
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-difluoro-4-[(Z)-1,1,2,3,4,4,4-heptafluorobut-2-enoxy]phenyl]-1,3-difluoro-5-(4-propylphenyl)benzene

Drug info:

PubChemData

Smile

C1CCNC(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)C1)CC3=CNC4=CC=CC=C43)CCCN=C(N)N

DOS

IR

Vibrations