Geometry & MOs

Info

ID:	33691
PubChem CID:	7887515
Reduced:	ClSN2O5C18H25 (1)
Stoich.:	ABC2D5E18F25 (1)
Weight, g/mol:	381.0012
ΔH_f, kcal/mol:	-204.72
Dipole, Da:	6.29
IP(EA), eV:	-9.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromoanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC[C@@H]3CCCO3)Cl

DOS

IR

Vibrations