Geometry & MOs

Info

ID:	232370
PubChem CID:	87576084
Reduced:	SCl2N3O5H29C31 (1)
Stoich.:	AB2C3D5E29F31 (1)
Weight, g/mol:	364.147473
ΔH_f, kcal/mol:	-156.29
Dipole, Da:	2.93
IP(EA), eV:	-8.98(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]-2-methoxyphenyl]acetaldehyde

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CCC2=C(NC3=C2C(=O)CCC3)/C=C/4\C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O

DOS

IR

Vibrations