Geometry & MOs

Info

ID:	245386
PubChem CID:	99444189
Reduced:	ClSO3N4C20H23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	365.142722
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	5.31
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-fluorophenyl)-phenylmethyl]-2,3-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N(CCOC)CC2=CC=CO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations