Geometry & MOs

Info

ID:	163056
PubChem CID:	57587960
Reduced:	ClNSO2C7H8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	510.147698
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	5.6
IP(EA), eV:	-10.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2S)-2-(2-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Cl)S(=O)(=O)C

DOS

IR

Vibrations