Geometry & MOs

Info

ID:	43543
PubChem CID:	10321445
Reduced:	FN2O2C28H33 (1)
Stoich.:	AB2C2D28E33 (1)
Weight, g/mol:	448.182064
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	3.46
IP(EA), eV:	-8.91(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[benzylcarbamoyl(butyl)amino]phenyl]sulfanylphenyl] acetate

Drug info:

PubChemData

Smile

CCCCCC1=C2CN3C(=CC(=C(C3=O)C)C(C4CCCCC4)O)C2=NC5=C1C=C(C=C5)F

DOS

IR

Vibrations