Geometry & MOs

Info

ID:	375908
PubChem CID:	134221904
Reduced:	FNO5C30H38 (1)
Stoich.:	ABC5D30E38 (1)
Weight, g/mol:	522.95645
ΔH_f, kcal/mol:	-277.79
Dipole, Da:	9.75
IP(EA), eV:	-8.53(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-bromo-4-[(E)-3-(3,5-dichloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C(C)(C)C)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C3=CC(=C4C(=C3C)CCCO4)F

DOS

IR

Vibrations