Geometry & MOs

Info

ID:	434681
PubChem CID:	135175475
Reduced:	ClSF2N3O5C32H36 (1)
Stoich.:	ABC2D3E5F32G36 (1)
Weight, g/mol:	265.031727
ΔH_f, kcal/mol:	-266.57
Dipole, Da:	6.94
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C([C@@H](C(=O)N2C3CCC2CC(C3)N)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6)(F)F)Cl

DOS

IR

Vibrations