Geometry & MOs

Info

ID:	133558
PubChem CID:	51548158
Reduced:	ClFSN2O4C19H20 (1)
Stoich.:	ABCD2E4F19G20 (1)
Weight, g/mol:	465.172228
ΔH_f, kcal/mol:	-170.39
Dipole, Da:	5.14
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations