Geometry & MOs

Info

ID:	243334
PubChem CID:	99218578
Reduced:	SN3O6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-140.33
Dipole, Da:	7.45
IP(EA), eV:	-9.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[5-(3-methylphenoxy)pentanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations