Geometry & MOs

Info

ID:

297344

PubChem CID:

117615481

Reduced:

SO18N25C88H125 (1)

Stoich.:

AB18C25D88E125 (1)

Weight, g/mol:

287.101839

ΔHf, kcal/mol:

-405.88

Dipole, Da:

12.56

IP(EA), eV:

 -8.43(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-hydroxyethoxy)-8-(1-methylimidazol-4-yl)-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC3=CNC4=CC=CC=C43)CO)CC5=CNC6=CC=CC=C65)C)CC(C)C)CC7=CN=CN7)CC(=O)N)C)C)CC8=CN=CC=C8)C(=O)NCC(=O)N)CCCNC(=N)N

DOS

IR

Vibrations