Geometry & MOs

Info

ID:

145277

PubChem CID:

53491471

Reduced:

N13O13C43H77 (1)

Stoich.:

A13B13C43D77 (1)

Weight, g/mol:

422.150954

ΔHf, kcal/mol:

-651.95

Dipole, Da:

12.28

IP(EA), eV:

 -9.46(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(4-chlorophenyl)propyl]-7-methyl-8-propylbenzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations