Geometry & MOs

Info

ID:	54405
PubChem CID:	17144991
Reduced:	SN2O5C28H38 (1)
Stoich.:	AB2C5D28E38 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-205.79
Dipole, Da:	3.6
IP(EA), eV:	-9.05(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCOCC4)OCC

DOS

IR

Vibrations