Geometry & MOs

Info

ID:

168579

PubChem CID:

74989772

Reduced:

O10N22C69H86 (1)

Stoich.:

A10B22C69D86 (1)

Weight, g/mol:

1949.002908

ΔHf, kcal/mol:

-257.59

Dipole, Da:

10.12

IP(EA), eV:

 -8.69(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCCC(=O)NC(CC5=CN=CN5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)N

DOS

IR

Vibrations