Geometry & MOs

Info

ID:	167574
PubChem CID:	74846291
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	427.135049
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	6.97
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2NC3CCN(CC3C(=O)N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations