Geometry & MOs

Info

ID:	32879
PubChem CID:	7849078
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	395.083887
ΔH_f, kcal/mol:	-126.27
Dipole, Da:	2.5
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C[C@H](C)O

DOS

IR

Vibrations