Geometry & MOs

Info

ID:

162523

PubChem CID:

57394941

Reduced:

NO8C47H61 (1)

Stoich.:

AB8C47D61 (1)

Weight, g/mol:

458.98884

ΔHf, kcal/mol:

-320.48

Dipole, Da:

8.38

IP(EA), eV:

 -8.2(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-amino-4-(4-bromophenyl)sulfanyl-5-hydroxyfuro[2,3-f]quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)OCCCCN7CCCCC7)O)C)C

DOS

IR

Vibrations