Geometry & MOs

Info

ID:	335489
PubChem CID:	127254351
Reduced:	ClSN4O4H17C20 (1)
Stoich.:	ABC4D4E17F20 (1)
Weight, g/mol:	443.173273
ΔH_f, kcal/mol:	-75.21
Dipole, Da:	6.29
IP(EA), eV:	-8.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-[(2-phenylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1C)OCC(=O)NC2=NC(=CS2)C3=C(C=C4C(=C3)CC(=O)N4)Cl

DOS

IR

Vibrations