Geometry & MOs

Info

ID:	429439
PubChem CID:	135169488
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	488.311104
ΔH_f, kcal/mol:	63.01
Dipole, Da:	4.64
IP(EA), eV:	-8.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-N-[1-oxo-1-[[1-oxo-1-(4-oxohexan-3-ylamino)-3-phenylpropan-2-yl]amino]butan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(C=CN=C2)COC3=CC4=C(C=C3)N=C(S4)NC5CCCCC5

DOS

IR

Vibrations