Geometry & MOs

Info

ID:	436050
PubChem CID:	135193565
Reduced:	O2N3H23C24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	416.307264
ΔH_f, kcal/mol:	12.72
Dipole, Da:	1.02
IP(EA), eV:	-8.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-7,7-dimethyloctanamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)N2C=C(/C(=N/NC3=C(C4=CC=CC=C4C=C3)O)/C2=O)C

DOS

IR

Vibrations