Geometry & MOs

Info

ID:	336288
PubChem CID:	127255295
Reduced:	ClSO2N5C21H26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	5.44
IP(EA), eV:	-8.66(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations