Geometry & MOs

Info

ID:	34264
PubChem CID:	7890567
Reduced:	SN2O6H18C19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	385.088099
ΔH_f, kcal/mol:	-170.38
Dipole, Da:	8.45
IP(EA), eV:	-8.87(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC

DOS

IR

Vibrations