Geometry & MOs

Info

ID:	442297
PubChem CID:	135251109
Reduced:	ClFSO6H24C26 (1)
Stoich.:	ABCD6E24F26 (1)
Weight, g/mol:	559.047949
ΔH_f, kcal/mol:	-242.66
Dipole, Da:	7.99
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-6-[(2-chloro-6-fluorophenyl)methoxy]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)C2CC(OC3=C2C=C(C=C3)OCC4=C(C=CC=C4Cl)F)CCC(=O)O

DOS

IR

Vibrations