Geometry & MOs

Info

ID:	148010
PubChem CID:	53787672
Reduced:	FOC24H35 (1)
Stoich.:	ABC24D35 (1)
Weight, g/mol:	664.300465
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	3.0
IP(EA), eV:	-8.48(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[3-[3-tert-butyl-4-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophen-2-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)C=CCCF

DOS

IR

Vibrations