Geometry & MOs

Info

ID:	335940
PubChem CID:	127254947
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	427.163102
ΔH_f, kcal/mol:	-177.69
Dipole, Da:	6.46
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(2,3,4-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NCC2CCS(=O)(=O)C2

DOS

IR

Vibrations