Geometry & MOs

Info

ID:	222835
PubChem CID:	85332677
Reduced:	O4N5C32H37 (1)
Stoich.:	A4B5C32D37 (1)
Weight, g/mol:	552.284889
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	7.93
IP(EA), eV:	-8.63(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)-5-(diaminomethylideneamino)-2-(3-naphthalen-1-ylpropanoylamino)pentanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(C=C2)CC(=O)N3CC4C(C3)NNC4NC(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

DOS

IR

Vibrations