Geometry & MOs

Info

ID:	434943
PubChem CID:	135176041
Reduced:	SF2N3O5C35H41 (1)
Stoich.:	AB2C3D5E35F41 (1)
Weight, g/mol:	327.288577
ΔH_f, kcal/mol:	-248.62
Dipole, Da:	4.29
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-4,4-dimethylpentanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)OC6=CC=CC=C6)(F)F

DOS

IR

Vibrations