Geometry & MOs

Info

ID:

297317

PubChem CID:

117614988

Reduced:

SO21N24C93H130 (1)

Stoich.:

AB21C24D93E130 (1)

Weight, g/mol:

364.233522

ΔHf, kcal/mol:

-658.58

Dipole, Da:

13.78

IP(EA), eV:

 -8.12(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,6-N-dimethoxy-2-N,6-N-dimethyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine

Drug info:

PubChemData

Smile

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC5=CNC6=CC=CC=C65)CO)CC7=CNC8=CC=CC=C87)O)CCCN)CC9=CNC=N9)CCC(=O)O)CC1=CC=C(C=C1)O)C(=O)NCC(=O)N)CCCNC(=N)N

DOS

IR

Vibrations